Keminntek Laboratories

CAS 874290-59-2

Chemistry, 1 End Use API, 7 Related Intermediates

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Also known as: 874290-59-2, N-cbz-4-amino-2-fluorophenylboronic acid, [2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]boronic acid, Carbamic acid,(4-borono-3-fluorophenyl)-,c-(phenylmethyl)ester, Carbamic acid, (4-borono-3-fluorophenyl)-, c-(phenylmethyl) ester, (4-{[(benzyloxy)carbonyl]amino}-2-fluorophenyl)boronic acid

Molecular Formula

C₁₄H₁₃BFNO₄

Molecular Weight

289.07 g/mol

InChI Key

MPXQYNYBUZHTMR-UHFFFAOYSA-N

1 2D Structure

CAS 874290-59-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]boronic acid

2.1.2 InChI

InChI=1S/C14H13BFNO4/c16-13-8-11(6-7-12(13)15(19)20)17-14(18)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18)

2.1.3 InChI Key

MPXQYNYBUZHTMR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B(C1=C(C=C(C=C1)NC(=O)OCC2=CC=CC=C2)F)(O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 874290-59-2

2. N-cbz-4-amino-2-fluorophenylboronic Acid

3. [2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]boronic Acid

4. Carbamic Acid,(4-borono-3-fluorophenyl)-,c-(phenylmethyl)ester

5. Carbamic Acid, (4-borono-3-fluorophenyl)-, C-(phenylmethyl) Ester

6. (4-{[(benzyloxy)carbonyl]amino}-2-fluorophenyl)boronic Acid

7. Schembl2174663

8. Amino-2-fluorophenylboronic Acid

9. Bcp09830

10. Cs-m1460

11. Akos027339022

12. Carbamic Acid, (4-borono-3-fluorophenyl)-, C-(phenylmethyl) Ester (9ci)

13. Zinc203697597

14. Cs-13314

15. Db-119920

16. Ft-0697128

17. A851893

18. 4-(benzyloxycarbonylamino)-2-fluorophenylboronicacid

19. (4-(((benzyloxy)carbonyl)amino)-2-fluorophenyl)boronicacid

20. 4-(benzyloxycarbonylamino)-2-fluorophenylboronic Acid

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₃BFNO₄
Molecular Weight	289.07 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	289.0921662 g/mol
Monoisotopic Mass	289.0921662 g/mol
Topological Polar Surface Area	78.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	339
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

97483-77-7

End Use API

Tedizolid

About the Company

Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sect...

Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sector in specific Pharmaceutical Intermediates, Speciality Chemicals, Impurities and Active Pharmaceutical Ingredients. Our vision is to build Keminntek Laboratories into a world class leading pharmaceutical service provider based on innovation while keeping health & prosperity in mind. Imperatively, we will continue our business with high standards of ethics in the interest of society and environment. We are committed towards improving people’s health through science and innovation.

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