(Z)-4-Bromo-2-methoxyimino-3-oxo-butyric Acid Chloride - CAS 77361-11-6

Catalog:	BB055409
Product Name:	(Z)-4-Bromo-2-methoxyimino-3-oxo-butyric Acid Chloride
CAS:	77361-11-6
Synonyms:	(2Z)-4-Bromo-2-(methoxyimino)-3-oxobutanoyl Chloride; syn-4-Bromo-2-(methoxyimino)-3-oxobutanoyl Chloride; (Z)-4-Bromo-2-(methoxyimino)-3-oxobutanoyl Chloride

Technical Data

IUPAC Name:	(2E)-4-bromo-2-methoxyimino-3-oxobutanoyl chloride
Description:	(Z)-4-Bromo-2-methoxyimino-3-oxo-butyric Acid Chloride is an intermediate used in the synthesis of Cefotaxime Bromoacetyl Analogue (C242940), which is an impurity of Cefotaxime (C242950), a broad spectrum third generation cephalosporin antibiotic
Molecular Weight:	242.46
Molecular Formula:	C5H5BrClNO3
Canonical SMILES:	CON=C(C(=O)CBr)C(=O)Cl
InChI:	InChI=1S/C5H5BrClNO3/c1-11-8-4(5(7)10)3(9)2-6/h2H2,1H3/b8-4+
InChI Key:	STQLBWSBVJOFBE-XBXARRHUSA-N

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	240.91413
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	240.91413
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9