AG00EEQT

57332-84-0 | Ethyl 3-bromo-2-oxobutyrate

AG00EEQT

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CAS Number	57332-84-0
Catalog Number	AG00EEQT(AGN-PC-0NG5ZL)
Chemical Name	Ethyl 3-bromo-2-oxobutyrate
IUPAC Name	ethyl 3-bromo-2-oxobutanoate
InChI	InChI=1S/C6H9BrO3/c1-3-10-6(9)5(8)4(2)7/h4H,3H2,1-2H3
InChI Key	SIOIQIWIQSMQAG-UHFFFAOYSA-N
MDL Number	MFCD19440735
Molecular Formula	C6H9BrO3
Molecular Weight	209.0379
SMILES	CC(Br)C(C(OCC)=O)=O
Synonyms	ethyl 3-bromo-2-oxobutanoate, 57332-84-0, 3-bromo-2-oxo-butyric acid ethyl ester, Butanoic acid, 3-bromo-2-oxo-, ethyl ester, ethyl 3-bromo-2-oxobutyrate, Ethyl3-bromo-2-oxobutanoate, Ethyl |A-Bromoethylglyoxalate, Ethyl-3-bromo-2-oxobutanoate, SCHEMBL114311, DTXSID00455814, SIOIQIWIQSMQAG-UHFFFAOYSA-N, ALBB-022331, KS-00000OI3, 5871AE, MFCD19440735, AKOS015997948, 2-Oxo-3-bromobutyric acid ethyl ester, CS-W006537, WT82069, 3-bromo-2-oxobutanoic acid ethyl ester, AK-50500, DS-15483, QC-10762, SC-29142, AB0093519, DB-017468, ST2404936, 4CH-017344, FT-0744451, C6H9BrO3, ethyl 2-oxo-3-bromobutyrate, Ethyl 3-bromo-2-oxo-butanoate, CID11117285,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.974g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.039g/mol
Monoisotopic Mass	207.974g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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