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CAS 90357-51-0

Chemistry, 4 End Use API, 17 Related Intermediates

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Also known as: 90357-51-0, N-[4-cyano-3-(trifluoromethyl)phenyl]methacrylamide epoxide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide, Oxiranecarboxamide, n-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-, Bicalutamide epoxide impurity

Molecular Formula

C₁₂H₉F₃N₂O₂

Molecular Weight

270.21 g/mol

InChI Key

UQUQTWDUTIAAAY-UHFFFAOYSA-N

1 2D Structure

CAS 90357-51-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide

2.1.2 InChI

InChI=1S/C12H9F3N2O2/c1-11(6-19-11)10(18)17-8-3-2-7(5-16)9(4-8)12(13,14)15/h2-4H,6H2,1H3,(H,17,18)

2.1.3 InChI Key

UQUQTWDUTIAAAY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(CO1)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 90357-51-0

2. N-[4-cyano-3-(trifluoromethyl)phenyl]methacrylamide Epoxide

3. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide

4. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide

5. Oxiranecarboxamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-

6. Bicalutamide Epoxide Impurity

7. 4-cyano-n-(2,3-epoxy-2-methylpropionyl)-3-trifluoromethylaniline

8. Mfcd08460201

9. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxirane Carboxamide

10. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-oxirane-2-carboxamide

11. 1,2-epoxy-2-methyl-n-[4-cyano-3-(trifluoromethyl)-phenyl]propionamide

12. Schembl202481

13. Dtxsid60436169

14. Akos015900542

15. Ac-1069

16. Ds-3154

17. Sy033473

18. Am20041370

19. C3607

20. Cs-0153887

21. 357c510

22. Q-100884

23. N-[4-cyano-3-trifluoromethylphenyl]-2-methyloxiranecaboxamide

24. Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxirane Carboxamide

25. N-[3-(trifluoromethyl)-4-cyanophenyl]-2-methyloxirane-2-carboxamide

26. 2-methyl-oxirane-2-carboxylic Acid (4-cyano-3-trifluoromethyl-phenyl)-amide

27. N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarbox-amide

28. N-(4-cyano-3-(trifluoromethyl)phenyl)methacrylamide;n-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₉F₃N₂O₂
Molecular Weight	270.21 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	270.06161202 g/mol
Monoisotopic Mass	270.06161202 g/mol
Topological Polar Surface Area	65.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	428
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

120511-72-0

End Use API

Anastrozole

About the Company

Innovassynth Technologies (I) Ltd. formerly known as Chemicals Division of Indian Organic Chemicals Ltd. ...

Innovassynth Technologies (I) Ltd. formerly known as Chemicals Division of Indian Organic Chemicals Ltd. came in to existence since 1st August 2002. It is a part of the well-known business group involved in activities like polyester fiber, polymers, pre-forms, and computer software among others. The company is catering to the needs of customers in the area of 'knowledge based R & D services' for the last 5 years, which include: Contract R & D, Custom Synthesis and Contract Manufacture In a very short period the company has established its name as a reliable partner in above area of activities and has joined hands with many prestigious companies in the field. The company has identified NUCLEOSIDES as a niche area and earned reputation as a supplier of various protected Nucleosides and a partner for Process research. The company is involved in business with well-known companies in various fields like pharmaceuticals, perfumes, agro chemicals, and fine and specialty chemicals. With two sites at its disposal, one already active at Khopoli near Mumbai and the other in the development stage at Chennai. It has already set up a cGMP Pilot Plant Facility where 10-15 Kg batch size is possible. It is going for US FDA approval in near future.

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