AG00357F

4897-84-1 | Methyl 4-bromobutanoate

AG00357F

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CAS Number	4897-84-1
Catalog Number	AG00357F(AGN-PC-0JLFYR)
Chemical Name	Methyl 4-bromobutanoate
EC Number	225-523-3
IUPAC Name	methyl 4-bromobutanoate
InChI	InChI=1S/C5H9BrO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
InChI Key	QAWFLJGZSZIZHO-UHFFFAOYSA-N
MDL Number	MFCD00041482
Molecular Formula	C5H9BrO2
Molecular Weight	181.0278
SMILES	BrCCCC(=O)OC
Synonyms	Methyl 4-bromobutyrate, methyl 4-bromobutanoate, 4897-84-1, 4-Bromobutyric Acid Methyl Ester, METHYL-4-BROMOBUTYRATE, Butanoic acid, 4-bromo-, methyl ester, MFCD00041482, Methyl 4-bromobutyrate, 98+%, Methyl4-bromobutyrate, EINECS 225-523-3, Butyric acid, 4-bromo-, methyl ester, Methyl gamma-bromobutyrate, ACMC-1AMN9, AC1L32EY, AC1Q27TX, SCHEMBL260980, 4-brombutyric acid methyl ester, 4-bromobutyric acid methyl-ester, CTK1D7445, QAWFLJGZSZIZHO-UHFFFAOYSA-, 4-bromobutanoic acid methyl ester, DTXSID50197651, 4-bromo butyric acid methyl ester, 4-bromo-butyric acid methyl ester, 4-bromobutyric acid, methyl ester, QAWFLJGZSZIZHO-UHFFFAOYSA-N, KS-00000BJ0, ZINC4284503, ANW-30718, AKOS005206713, CS-W004701, RL03807, RTR-017758, TRA0064103, VZ36317, AJ-50189, AK-94853, AS-13083, CJ-11849, H280, SC-46963, SY011922, DB-030024, ST2413402, TR-017758, B2308, FT-0617880, M-7156, 85859-EP2269990A1, 85859-EP2305254A1, MFCD00041482 (97+%), I14-8492, J-522324, InChI=1/C5H9BrO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3, C5H9BrO2, C5-H9-Br-O2, AR-1J5415, CID107604, Methyl 4-bromobutyrate, 98% - 10G 10g, 51387-58-7,

Complexity	72.8
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	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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