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CAS 79232-66-9

CAS 79232-66-9

Chemistry, 1 End Use API, 2 Related Intermediates

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CAS 79232-66-9

Also known as: (z)-4-bromo-3-oxo-2-methoxyiminobutyric acid, (2z)-4-bromo-2-methoxyimino-3-oxobutanoic acid, 79232-66-9, 75689-09-7

Molecular Formula

C₅H₆BrNO₄

Molecular Weight

224.01 g/mol

InChI Key

AMTTUPGTZVAKBF-DAXSKMNVSA-N

1 2D Structure

CAS 79232-66-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2Z)-4-bromo-2-methoxyimino-3-oxobutanoic acid

2.1.2 InChI

InChI=1S/C5H6BrNO4/c1-11-7-4(5(9)10)3(8)2-6/h2H2,1H3,(H,9,10)/b7-4-

2.1.3 InChI Key

AMTTUPGTZVAKBF-DAXSKMNVSA-N

2.1.4 Canonical SMILES

CON=C(C(=O)CBr)C(=O)O

2.1.5 Isomeric SMILES

CO/N=C(/C(=O)CBr)\C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. (z)-4-bromo-3-oxo-2-methoxyiminobutyric Acid

2. (2z)-4-bromo-2-methoxyimino-3-oxobutanoic Acid

3. 79232-66-9

4. 75689-09-7

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₅H₆BrNO₄
Molecular Weight	224.01 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	222.94802 g/mol
Monoisotopic Mass	222.94802 g/mol
Topological Polar Surface Area	76 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	201
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Digital Content

(z)-4-Bromo-2-methoxyimino-3-oxobutyric acid

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CAS Number

79232-66-9

End Use API

Cefpodoxime Proxetil

About the Company

Established in the early 90’s SCL offers a wide range of Active Pharmaceutical Ingredients and Intermed...

Established in the early 90’s SCL offers a wide range of Active Pharmaceutical Ingredients and Intermediates to its customers worldwide. SCL’s products are exported to Europe, Japan, Russia, South and Central America, ASEAN, W. Asia, MENA regions. SCL’s manufacturing facilities have been built to comply with EU GMP and U.S. FDA norms, and the API facility has been successfully certified as EU GMP compliant five times by the European Authorities. Latest certification was carried out by German Health Authority.

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