AG00EQBD

56427-54-4 | 5-Chloro-2-Methylbenzoic Acid Ethyl Ester

AG00EQBD

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CAS Number	56427-54-4
Catalog Number	AG00EQBD(AGN-PC-039CG3)
Chemical Name	5-Chloro-2-Methylbenzoic Acid Ethyl Ester
IUPAC Name	ethyl 5-chloro-2-methylbenzoate
InChI	InChI=1S/C10H11ClO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3
InChI Key	UQFYMEQTOWLWHW-UHFFFAOYSA-N
MDL Number	MFCD11226198
Molecular Formula	C10H11ClO2
Molecular Weight	198.6461
SMILES	O=C(OCC)C1=CC(Cl)=CC=C1C
Synonyms	Ethyl 5-chloro-2-methylbenzoate, 56427-54-4, 5-chloro-2-methyl-benzoic acid ethyl ester, ethyl 4-chloro-o-toluate, SCHEMBL549144, DTXSID80611815, UQFYMEQTOWLWHW-UHFFFAOYSA-N, KS-00000S5R, MFCD11226198, ZINC21303505, AKOS006307224, AS02907, DS-8795, QC-7538, AJ-78439, AK147872, AB0067887, TL8007229, 5-CHLORO-2-METHYLBENZOIC ACID ETHYL ESTER,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.045g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.646g/mol
Monoisotopic Mass	198.045g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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