AG003401

3153-37-5 | 4-Chlorobutyric Acid Methyl Ester

AG003401

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CAS Number	3153-37-5
Catalog Number	AG003401(AGN-PC-00BZDY)
Chemical Name	4-Chlorobutyric Acid Methyl Ester
EC Number	221-592-9
IUPAC Name	methyl 4-chlorobutanoate
InChI	InChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
InChI Key	ZZUYIRISBMWFMV-UHFFFAOYSA-N
MDL Number	MFCD00001003
Molecular Formula	C5H9ClO2
Molecular Weight	136.5768
NSC Number	66271
SMILES	O=C(OC)CCCCl
Synonyms	Methyl 4-chlorobutyrate, 3153-37-5, Methyl 4-chlorobutanoate, Butanoic acid, 4-chloro-, methyl ester, 4-Chlorobutyric acid methyl ester, C5H9ClO2, MFCD00001003, Butyric acid, 4-chloro-, methyl ester, Methyl .omega.-chlorobutyrate, ZZUYIRISBMWFMV-UHFFFAOYSA-N, 4-Chlorobutanoic acid methyl ester, .gamma.-Chlorobutyric acid methyl ester, Methyl 4-chlorobutyrate, 98+%, methyl-4-chlorbutanoat, methyl-4-chlorobutyrate, gamma-Chlorobutyric acid methyl ester, Methyl omega-chlorobutyrate, EINECS 221-592-9, NSC 66271, methyl4-chlorobutyrate, ACMC-1CMCI, AC1L2RAD, AC1Q3UKK, methyl 4-chloro-butanoate, Methyl gamma-chlorobutyrate, 4-Chlorbutansauremethylester, 4-Chlorobutyric acid methyl, SCHEMBL83390, KSC490A5H, Methyl .gamma.-chlorobutyrate, AC1Q443B, Jsp005883, ClCH2(CH2)2C(O)OCH3, DTXSID7062873, CTK3J0053, KS-00000BIO, Methyl 4-chlorobutyrate, >=98%, NSC66271, ZINC1693788, ANW-27143, BBL011535, NSC-66271, STL146654, AKOS005287838, ACN-050872, Butanoic acid,4-chloro-, methyl ester, MCULE-9725150748, RP20307, RTR-032314, TRA0025661, CJ-06557, SC-15079, TR-032314, C0823, CS-0001466, FT-0082839, FT-0618202, V7354, Butyric acid, 4-chloro-, methyl ester (8CI), GAMMA-CHLORO-N-BUTYRIC ACID METHYL ESTER, I14-6504, Q-200457, InChI=1/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H, 4-Chloroacetophenone, Butyric acid, methyl ester, Butanoic acid, methyl ester, C5-H9-Cl-O2, CID76612, AR-1J6641, Methyl 4-Chlorobutyrate 98% extra pure 50ml, Methyl 4-chlorobutyrate, 98% - 100G 100g, 32860-62-1,

Complexity	72.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.029g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	136.575g/mol
Monoisotopic Mass	136.029g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P403+P235
UN Code	UN 3272

Certificate of Analysis

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