AG003MNG

99585-13-4 | Methyl 5-chloro-2-methylbenzoate

AG003MNG

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CAS Number	99585-13-4
Catalog Number	AG003MNG(AGN-PC-02ZAM0)
Chemical Name	Methyl 5-chloro-2-methylbenzoate
IUPAC Name	methyl 5-chloro-2-methylbenzoate
InChI	InChI=1S/C9H9ClO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3
InChI Key	HMGNABFNVYLVMD-UHFFFAOYSA-N
MDL Number	MFCD09831993
Molecular Formula	C9H9ClO2
Molecular Weight	184.6196
SMILES	O=C(OC)C1=CC(Cl)=CC=C1C
Synonyms	Methyl 5-chloro-2-methylbenzoate, 99585-13-4, 5-Chloro-2-methyl-benzoic acid methyl ester, Benzoic acid, 5-chloro-2-methyl-, methyl ester, ACMC-209sd9, KSC495M3N, SCHEMBL2452734, Methyl5-Chloro-2-methylbenzoate, CTK3J5636, KS-00000BML, DTXSID30607440, methyl 2-methyl-5-chlorobenzoate, HMGNABFNVYLVMD-UHFFFAOYSA-N, 4306AJ, ANW-41035, CL8578, MFCD09831993, ZINC21303498, AKOS006327055, QC-7537, TRA0077881, AJ-78438, AK-83493, AS-46052, CJ-16922, SY016955, 5-Chloro-2-methylbenzoic acid methyl ester, AB0053819, DB-021234, RT-002616, TL8007228, FT-0729324, ST24047990, Z-4393, MFCD09831993 (97+%), 282C140, C9H9ClO2, 5-CHLORO-2-METHYL-BENZOICACIDMETHYLESTER,

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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