AG002P4G

247092-10-0 | Benzoic acid, 2-chloro-5-hydroxy-, methyl ester

AG002P4G

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CAS Number	247092-10-0
Catalog Number	AG002P4G(AGN-PC-04RZBF)
Chemical Name	Benzoic acid, 2-chloro-5-hydroxy-, methyl ester
IUPAC Name	methyl 2-chloro-5-hydroxybenzoate
InChI	InChI=1S/C8H7ClO3/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4,10H,1H3
InChI Key	UCNCJYKKAJVLQK-UHFFFAOYSA-N
MDL Number	MFCD10698699
Molecular Formula	C8H7ClO3
Molecular Weight	186.5924
SMILES	ClC1=C(C(=O)OC)C=C(C=C1)O
Synonyms	Methyl 2-chloro-5-hydroxybenzoate, 247092-10-0, Benzoic acid, 2-chloro-5-hydroxy-, methyl ester, ACMC-209ge6, SCHEMBL1180308, CTK8B1297, KS-00000HDX, DTXSID40647458, UCNCJYKKAJVLQK-UHFFFAOYSA-N, ANW-25516, MFCD10698699, ZINC21298761, AKOS006304626, AJ-78217, AK-40211, CJ-16846, DS-13350, TC-114261, TL8002027, FT-0647027, X5097, 2-Chloro-5-hydroxy-benzoic acid methyl ester, C8H7ClO3, ACN-026962,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.008g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.591g/mol
Monoisotopic Mass	186.008g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^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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