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874649-82-8
Also known as: 874649-82-8, Methyl 6-fluorochromane-2-carboxylate, Methyl 6-fluoro-3,4-dihydro-2h-chromene-2-carboxylate, Rac-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic acid methyl ester, Methyl 6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylate, Schembl2005546
Molecular Formula
C11H11FO3
Molecular Weight
210.20  g/mol
InChI Key
QAYAXMIKHJVIJM-UHFFFAOYSA-N

1 2D Structure

874649-82-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
2.1.2 InChI
InChI=1S/C11H11FO3/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)15-10/h3,5-6,10H,2,4H2,1H3
2.1.3 InChI Key
QAYAXMIKHJVIJM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1CCC2=C(O1)C=CC(=C2)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 874649-82-8

2. Methyl 6-fluorochromane-2-carboxylate

3. Methyl 6-fluoro-3,4-dihydro-2h-chromene-2-carboxylate

4. Rac-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic Acid Methyl Ester

5. Methyl 6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylate

6. Schembl2005546

7. Dtxsid00595128

8. Mfcd09701969

9. Akos015853416

10. Ds-2072

11. Ts-02990

12. 2-methylamino-1-phenylethanonehydrochloride

13. Cs-0001991

14. Ft-0658816

15. M2879

16. A842225

17. 2h-1-benzopyran-2-carboxylicacid,6-fluoro-3,4-dihydro-,methyl Ester

2.3 Create Date
2007-12-04
3 Chemical and Physical Properties
Molecular Weight 210.20 g/mol
Molecular Formula C11H11FO3
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area35.5
Heavy Atom Count15
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Nebivolol
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.
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Nebivolol
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.
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Nebivolol
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.
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Nebivolol
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.
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197706-50-6
Nebivolol
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.
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Nebivolol
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.
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