CAS 99199-90-3

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

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6-Fluoro-3,4-dihydro-2-oxiranyl-2H-1-benzopyran (Mixtur...

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CAS Number

99199-90-3

End Use API

Nebivolol

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Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to th...

Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to the generic and custom requirements of some of the most prestigious pharma companies. It is WHO-GMP, ISO 9001-2008 and ISO 14000:2004 certified. Shodhana develops quality products through cutting-edge research, expertise and the best drug manufacturing practices. Its manufacturing processes are as per ICH guidelines and cGMP-compliant. Shodhana also has a world-class R&D lab manned by a team of highly qualified scientists. Shodhana exports the highest-quality APIs and intermediates to markets across several countries.

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

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CAS Number

197706-51-7

End Use API

Nebivolol

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A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...

A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.

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