AG00IKBA

99585-12-3 | Benzoic acid, 4-chloro-2-methyl-, methyl ester

AG00IKBA

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CAS Number	99585-12-3
Catalog Number	AG00IKBA(AGN-PC-03OG2R)
Chemical Name	Benzoic acid, 4-chloro-2-methyl-, methyl ester
IUPAC Name	methyl 4-chloro-2-methylbenzoate
InChI	InChI=1S/C9H9ClO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,1-2H3
InChI Key	GWJVBTHDUYTGLK-UHFFFAOYSA-N
MDL Number	MFCD09842344
Molecular Formula	C9H9ClO2
Molecular Weight	184.6196
SMILES	O=C(OC)C1=CC=C(Cl)C=C1C
Synonyms	Methyl 4-Chloro-2-methylbenzoate, 99585-12-3, 4-CHLORO-2-METHYL-BENZOIC ACID METHYL ESTER, 4-chloro-2-methylbenzoic acid methyl ester, Benzoic acid, 4-chloro-2-methyl-, methyl ester, Methyl 4-chloro-o-toluate, methyl 4-chloro-methylbenzoate, SCHEMBL1016173, DTXSID40625130, GWJVBTHDUYTGLK-UHFFFAOYSA-N, 4274AJ, MFCD09842344, ZINC22013230, AKOS006327096, AJ-80541, AS-42880, SC-54539, AB0085329, DB-080614, FT-0753469, L-1228, A1-00305, BENZOIC ACID,4-CHLORO-2-METHYL-,METHYL ESTER, C9H9ClO2,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.029g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.619g/mol
Monoisotopic Mass	184.029g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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