CAS 99199-90-3

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5 End Use APIs
28 Related Intermediates

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1 Intermediates

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Chemistry

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Also known as: 99199-90-3, 6-fluoro-3,4-dihydro-2-oxiranyl-2h-1-benzopyran, 197706-51-7, 6-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2h-chromene, 6-fluoro-2-(oxiran-2-yl)chromane, 6-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2h-1-benzopyran

Molecular Formula

C₁₁H₁₁FO₂

Molecular Weight

194.20 g/mol

InChI Key

GVZDIJGBXSDSEP-UHFFFAOYSA-N

1 2D Structure

CAS 99199-90-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-fluoro-2-(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

2.1.3 InChI Key

GVZDIJGBXSDSEP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC2=C(C=CC(=C2)F)OC1C3CO3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 99199-90-3

2. 6-fluoro-3,4-dihydro-2-oxiranyl-2h-1-benzopyran

3. 197706-51-7

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

5. 6-fluoro-2-(oxiran-2-yl)chromane

6. 6-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2h-1-benzopyran

7. Nebivolol Impurity 4

8. 6-fluoro-3,4-dihydro-2-(2-oxiranyl)-2h-1-benzopyran

9. Schembl965195

10. Dtxsid40470147

11. Amy33403

12. Bcp14120

13. Zb1812

14. Akos006307171

15. Db-031558

16. Ft-0654423

17. Ft-0668675

18. Ft-0668676

19. Ft-0778639

20. Ft-0778640

21. D87510

22. Ec 606-373-1

23. Fluoro-3,4-dihydro-2-oxiranyl-2h-1-benzopyran

24. 199f903

25. A845980

26. 6-fluoro-2-oxiranyl-3,4-dihydro-2h-1-benzopyran

27. 6-fluoro-3, 4-dihydro-2-oxiranyl-2h-1-benzopyran

28. Q-200005

29. 6-fluoranyl-2-(oxiran-2-yl)-3,4-dihydro-2h-chromene

30. 6-fluoro-2-(2-oxiranyl)-3,4-dihydro-2h-1-benzopyran

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

32. (+/-)-(r*,r* And R*,s*)-6-fluoro-3,4-dihydro-2-oxiranyl-2h-1-benzopyran

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₁FO₂
Molecular Weight	194.20 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	194.07430775 g/mol
Monoisotopic Mass	194.07430775 g/mol
Topological Polar Surface Area	21.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	221
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1