AG00I61Z

3196-15-4 | Butanoic acid, 2-bromo-, methyl ester

AG00I61Z

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CAS Number	3196-15-4
Catalog Number	AG00I61Z(AGN-PC-0JM1CY)
Chemical Name	Butanoic acid, 2-bromo-, methyl ester
EC Number	221-699-0
IUPAC Name	methyl 2-bromobutanoate
InChI	InChI=1S/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3
InChI Key	UFQQDNMQADCHGH-UHFFFAOYSA-N
MDL Number	MFCD00009666
Molecular Formula	C5H9BrO2
Molecular Weight	181.0278
NSC Number	21974
SMILES	CCC(Br)C(OC)=O
Synonyms	Methyl 2-bromobutyrate, 3196-15-4, Methyl 2-bromobutanoate, 2-Bromobutyric Acid Methyl Ester, Butanoic acid, 2-bromo-, methyl ester, Methyl-2-bromobutyrate, UFQQDNMQADCHGH-UHFFFAOYSA-N, alpha-bromobutyric acid methyl ester, Methyl bromobutyrate, EINECS 221-699-0, NSC 21974, methyl-2-bromobutanoate, PubChem20191, Methylaethylbromessigester, AC1L3UMU, AC1Q2RUF, methyl alpha-bromobutyrate, dl-Methyl 2-bromobutyrate, methyl 2-bromo-n-butyrate, Methyl 2-bromobutanoate #, 2-bromobutyrate-methyl ester, 2-Bromobutyricacidmethylester, ACMC-1B79G, KSC490A4D, SCHEMBL532563, Methyl 2-bromobutyrate, 97%, AC1Q244X, Jsp005934, CTK3J0041, a-Bromobutanoic acid methyl ester, 2-bromo-butyric acid methyl ester, 2-Bromobutanoic acid methyl ester, KS-00000J9T, NSC21974, ANW-27236, MFCD00009666, NSC-21974, SBB070737, AKOS001270829, AKOS016842317, CS-W017174, RP24205, RTR-013494, TRA0046210, AK-41627, AS-18287, BC004510, BR-41627, 2-BROMO-N-BUTYRIC ACID METHYL ESTER, ST2413290, TR-013494, AM20090460, FT-0611545, FT-0628433, W5381, S-1351, I04-0302, I14-6073, Q-201370, F2190-0282, InChI=1/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H, methyl-2-bromo butyrate, C5H9BrO2, Butanoic acid, methyl ester, METHYL2-BROMOBUTYRATE, C5-H9-Br-O2, CID95577, Methyl 2-bromobutyrate, 97% 50g, AR-1J4709, B1462, Methyl 2-bromobutyrate, 97% - 100G 100g, 69043-96-5, 71334-38-8,

Complexity	82.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.979g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.029g/mol
Monoisotopic Mass	179.979g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H227-H314
Precuationary statements	P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

Lot Number