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CAS 876514-31-7 manufacturers and suppliers on PharmaCompass

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CAS 876514-31-7
Also known as: 129050-23-3, (2r)-rel-6-fluoro-3,4-dihydro-2-(2r)-2-oxiranyl-2h-1-benzopyran, 876514-31-7, (2s)-6-fluoro-2-[(2r)-oxiran-2-yl]-3,4-dihydro-2h-chromene, 793669-26-8, Schembl1736664
Molecular Formula
C11H11FO2
Molecular Weight
194.20  g/mol
InChI Key
GVZDIJGBXSDSEP-QWRGUYRKSA-N

1 2D Structure

CAS 876514-31-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-6-fluoro-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene
2.1.2 InChI
InChI=1S/C11H11FO2/c12-8-2-4-9-7(5-8)1-3-10(14-9)11-6-13-11/h2,4-5,10-11H,1,3,6H2/t10-,11-/m0/s1
2.1.3 InChI Key
GVZDIJGBXSDSEP-QWRGUYRKSA-N
2.1.4 Canonical SMILES
C1CC2=C(C=CC(=C2)F)OC1C3CO3
2.1.5 Isomeric SMILES
C1CC2=C(C=CC(=C2)F)O[C@@H]1[C@@H]3CO3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 129050-23-3

2. (2r)-rel-6-fluoro-3,4-dihydro-2-(2r)-2-oxiranyl-2h-1-benzopyran

3. 876514-31-7

4. (2s)-6-fluoro-2-[(2r)-oxiran-2-yl]-3,4-dihydro-2h-chromene

5. 793669-26-8

6. Schembl1736664

7. Dtxsid70680196

8. Dtxsid201176371

9. Zinc35635769

10. A855313

11. (s)-2-[[(s)-6-fluoro-3,4-dihydro-2h-1-benzopyran]-2-yl]oxirane

12. 2h-1-benzopyran, 6-fluoro-3,4-dihydro-2-[(2s)-2-oxiranyl]-, (2s)-

13. Rel-(2r)-6-fluoro-3,4-dihydro-2-(2r)-2-oxiranyl-2h-1-benzopyran

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 194.20 g/mol
Molecular Formula C11H11FO2
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass194.07430775 g/mol
Monoisotopic Mass194.07430775 g/mol
Topological Polar Surface Area21.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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URL Supplier Web Content
460-00-4
Nebivolol
Riddhi Pharma was set up in 1997 as a Manufacturer of API’s Intermediates and Fine Chemicals, especiall...
Riddhi Pharma was set up in 1997 as a Manufacturer of API’s Intermediates and Fine Chemicals, especially in the field of Friedel Crafts Reaction / Bromination and Chlorination. The establishment of the company itself was motivated by a strong desire to provide Quality Bulk API’s Intermediates in the most cost-effective way. Right our inception, we are focused on exploiting the potential of the Pharmaceutical Industry and our articulate vision has made us a significant player in Bulk API’s Sector.
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