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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

CAS 876514-31-7
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

BUILDING BLOCK

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