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Also known as: 197706-50-6, 129050-26-6, (2r)-6-fluoro-2-[(2s)-oxiran-2-yl]-3,4-dihydro-2h-chromene, (2r)-6-fluoro-2-[(2r)-oxiran-2-yl]-3,4-dihydro-2h-chromene, Schembl727770, Dtxsid301036140
Molecular Formula
C11H11FO2
Molecular Weight
194.20  g/mol
InChI Key
GVZDIJGBXSDSEP-GHMZBOCLSA-N

CAS 197706-50-6
1 2D Structure

CAS 197706-50-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-6-fluoro-2-[(2R)-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-/m1/s1
2.1.3 InChI Key
GVZDIJGBXSDSEP-GHMZBOCLSA-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. 197706-50-6

2. 129050-26-6

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

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

5. Schembl727770

6. Dtxsid301036140

7. 876514-31-7

8. Zinc35635771

9. (2r)-6-fluoro-2-[(2r)-2-oxiranyl]chromane

10. (2r, 2's)-6-fluoro-2-(2?-oxiranyl)chromane

11. (2r)-2beta-[(r)-oxirane-2beta-yl]-6-fluorochroman

12. (r*)-6-fluoro-3,4-dihydro((r*)-oxiran-2-yl)-2h-chromen

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

14. (2r)-6-fluoro-3,4-dihydro-2-[(2s)-2-oxiranyl]-2h-1-benzopyran; (2s)-2-((2r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-yl)oxirane

2.3 Create Date
2006-10-26
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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Vio Chemicals

Switzerland
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(2R, 2’R)-6-Fluoro-2-(2’oxiranyl)chromane 

CAS Number : 197706-50-6

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About the Company : A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technolo...

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