874649-82-8

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CHEMISTRY

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BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 31 Related Intermediates

2 Suppliers
2 End Use APIs
31 Related Intermediates

Chemistry

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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 Formula	C₁₁H₁₁FO₃
Molecular Weight	210.20 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	35.5
Heavy Atom Count	15
Formal Charge	0
Complexity	244
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1