AG00C9IT

34329-73-2 | Methyl 3-bromo-2-oxobutanoate

AG00C9IT

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CAS Number	34329-73-2
Catalog Number	AG00C9IT(AGN-PC-0NH9GP)
Chemical Name	Methyl 3-bromo-2-oxobutanoate
IUPAC Name	methyl 3-bromo-2-oxobutanoate
InChI	InChI=1S/C5H7BrO3/c1-3(6)4(7)5(8)9-2/h3H,1-2H3
InChI Key	HYDCQMJFDPQCJH-UHFFFAOYSA-N
MDL Number	MFCD11227208
Molecular Formula	C5H7BrO3
Molecular Weight	195.0113
SMILES	CC(Br)C(C(OC)=O)=O
Synonyms	methyl 3-bromo-2-oxobutanoate, 34329-73-2, 3-BROMO-2-OXO-BUTYRIC ACID METHYL ESTER, 3-Bromo-2-oxobutanoic acid methyl ester, Methyl 3-bromo-2-oxo-butanoate, C5H7BrO3, methyl 3-bromo-2-oxobutyrate, SCHEMBL286748, CTK6I6863, HYDCQMJFDPQCJH-UHFFFAOYSA-, DTXSID40457933, HYDCQMJFDPQCJH-UHFFFAOYSA-N, 0941AE, MFCD11227208, SBB091819, AKOS006323924, 3-bromo-2-oxobutanoic acid methylester, TRA0074052, 2-Oxo-3-bromobutyric acid methyl ester, 3-bromo-2-oxo-butanoic acid methyl ester, QC-10763, SC-49692, AB0002036, TR-071885, FT-0719221, Butanoic acid, 3-bromo-2-oxo-, methyl ester, Z-5847, 3-Bromo-2-oxobutyric acid methyl ester, AldrichCPR, InChI=1/C5H7BrO3/c1-3(6)4(7)5(8)9-2/h3H,1-2H3, CID11183175,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.958g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.012g/mol
Monoisotopic Mass	193.958g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number