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CAS 129101-37-7

Chemistry, 2 End Use API, 19 Related Intermediates

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Also known as: 129101-37-7, (r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic acid, (r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylicacid, (2r)-6-fluoro-3,4-dihydro-2h-chromene-2-carboxylic acid, Schembl1737016, Dtxsid101189254

Molecular Formula

C₁₀H₉FO₃

Molecular Weight

196.17 g/mol

InChI Key

ZNJANLXCXMVFFI-SECBINFHSA-N

1 2D Structure

CAS 129101-37-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid

2.1.2 InChI

InChI=1S/C10H9FO3/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13)/t9-/m1/s1

2.1.3 InChI Key

ZNJANLXCXMVFFI-SECBINFHSA-N

2.1.4 Canonical SMILES

C1CC2=C(C=CC(=C2)F)OC1C(=O)O

2.1.5 Isomeric SMILES

C1CC2=C(C=CC(=C2)F)O[C@H]1C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 129101-37-7

2. (r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic Acid

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

4. (2r)-6-fluoro-3,4-dihydro-2h-chromene-2-carboxylic Acid

5. Schembl1737016

6. Dtxsid101189254

7. 2h-1-benzopyran-2-carboxylic Acid, 6-fluoro-3,4-dihydro-, (2r)-

8. Mfcd09955074

9. Zb1813

10. Zinc19616003

11. (r)-6-fluorochroman-2-carboxylicacid

12. Akos006314748

13. (r)-6-fluorochromane-2-carboxylic Acid

14. Ds-17355

15. Cs-0042549

16. J3.501.654f

17. C13555

18. 101f377

19. A925240

20. (2r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2beta-carboxylic Acid

21. (2r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic Acid

2.3 Create Date

2009-05-28

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₉FO₃
Molecular Weight	196.17 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	196.05357231 g/mol
Monoisotopic Mass	196.05357231 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	231
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

371-41-5

End Use API

Nebivolol

About the Company

Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:20...

Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:2004 certified chemical company with sound technology, environment consciousness, a rich history of innovation through research, and a total commitment to excellence in quality and customer satisfaction. ARIL is a manufacturer of Specialty Chemicals, with products catering to a plethora of market segments such as Pharmaceuticals, Agrochemicals, Pigments, Dyestuff, Material Sciences and Human Care. Our vision is to exploit to the maximum the potential of our extensive infrastructure and knowledge base, and then go beyond these to explore new horizons. Our objective is to grow exponentially in a multi-faceted manner through our chemistry, our technology and most importantly, through our customer support. ARIL thrives on its strong Research & Development and we have introduced numerous products for the first time in India. Many products have been introduced on an exclusive basis for our customers, for which we have entered into exclusivity agreements.

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