AG0064WO

99585-14-5 | Methyl 2-chloro-6-methylbenzoate

AG0064WO

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CAS Number	99585-14-5
Catalog Number	AG0064WO(AGN-PC-03WY8X)
Chemical Name	Methyl 2-chloro-6-methylbenzoate
IUPAC Name	methyl 2-chloro-6-methylbenzoate
InChI	InChI=1S/C9H9ClO2/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5H,1-2H3
InChI Key	RYUYMMGUQYRLQX-UHFFFAOYSA-N
MDL Number	MFCD06204147
Molecular Formula	C9H9ClO2
Molecular Weight	184.6196
SMILES	O=C(OC)C1=C(C)C=CC=C1Cl
Synonyms	METHYL 2-CHLORO-6-METHYLBENZOATE, 99585-14-5, 2-CHLORO-6-METHYL-BENZOIC ACID METHYL ESTER, Benzoic acid, 2-chloro-6-methyl-, methyl ester, SCHEMBL485070, CTK5I0527, DTXSID00629093, methyl 6-chloro-2-methylbenzoate, RYUYMMGUQYRLQX-UHFFFAOYSA-N, KS-000011PO, 1670AJ, CL9102, FCH850830, MFCD06204147, ZINC44670719, AKOS006295762, DS-8179, AK154728, DA-39979, SC-45813, 2-chloro-6-methylbenzoic acid methyl ester, AJ-109890, AX8073421, 2-chloro-6-methyl benzoic acid methyl ester, FT-0730392, Z-4805, C9H9ClO2, 2-Chloro-6-methylbenzoicacid,

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	2.6

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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