AG00IA38

56525-63-4 | Benzoic acid, 3-chloro-4-methyl-, methyl ester

AG00IA38

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CAS Number	56525-63-4
Catalog Number	AG00IA38(AGN-PC-0KLBRH)
Chemical Name	Benzoic acid, 3-chloro-4-methyl-, methyl ester
IUPAC Name	methyl 3-chloro-4-methylbenzoate
InChI	InChI=1S/C9H9ClO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
InChI Key	KTFQDZCNPGFKAH-UHFFFAOYSA-N
MDL Number	MFCD00205141
Molecular Formula	C9H9ClO2
Molecular Weight	184.6196
SMILES	O=C(OC)C1=CC=C(C)C(Cl)=C1
Synonyms	Methyl 3-Chloro-4-methylbenzoate, 56525-63-4, Methyl3-chloro-4-methylbenzoate, Methyl-3-chloro-4-methylbenzoate, Methyl 3-Chloro-p-toluate, 3-Chloro-4-methylbenzoic Acid Methyl Ester, Benzoic acid, 3-chloro-4-methyl-, methyl ester, 2-Chloro-4-(methoxycarbonyl)toluene, MFCD00205141, PubChem10935, ACMC-209lsv, AC1MCV8V, KSC495I9J, SCHEMBL821888, methyl-3-chloro-4-metylbenzoate, CTK3J5494, KS-00000UTL, DTXSID70384243, Methyl 4-methyl-3-chlorobenzoate, KTFQDZCNPGFKAH-UHFFFAOYSA-N, methyl 3-chloro-4-methyl-benzoate, ZINC153308, ACT08422, BCP24533, ANW-32525, CM-641, SBB053740, 3-Chloro-p-toluic Acid Methyl Ester, AKOS009158184, AC-5778, AS00791, FS-2596, RTR-019829, TRA0161209, VZ32595, AJ-12937, AN-10641, CJ-01247, SC-42790, SY003376, ZB005395, AB0019738, TL8003657, TR-019829, FT-0628547, M2136, V0211, MFCD00205141 (95%), A-3206, S01-0080, C9H9ClO2, ZINC00153308, CID2801405, A8101, Methyl 3-chloro-4-methylbenzoate, 98% - 25G 25g,

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	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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