AG008AIS

886365-46-4 | 5-Chloro-3-methylpyridine-2-carboxylic acid

AG008AIS

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CAS Number	886365-46-4
Catalog Number	AG008AIS(AGN-PC-03ON7O)
Chemical Name	5-Chloro-3-methylpyridine-2-carboxylic acid
IUPAC Name	5-chloro-3-methylpyridine-2-carboxylic acid
InChI	InChI=1S/C7H6ClNO2/c1-4-2-5(8)3-9-6(4)7(10)11/h2-3H,1H3,(H,10,11)
InChI Key	QQNDJNHLMAFNJI-UHFFFAOYSA-N
MDL Number	MFCD07375127
Molecular Formula	C7H6ClNO2
Molecular Weight	171.5810
SMILES	ClC1=CN=C(C(=C1)C)C(=O)O
Synonyms	5-chloro-3-methylpyridine-2-carboxylic acid, 886365-46-4, 5-Chloro-3-methylpicolinic acid, 5-Chloro-3-methyl-pyridine-2-carboxylic acid, SCHEMBL287320, CTK5G1011, KS-00000JWJ, DTXSID40625392, QQNDJNHLMAFNJI-UHFFFAOYSA-N, 2-Carboxy-5-chloro-3-methylpyridine, ANW-50873, BBL103699, MFCD07375127, STL557509, ZINC38540692, AKOS006286813, AB41233, CS-W003405, FS-2951, RP23384, VP13650, AJ-96488, AK-29698, BR-29698, EN001020, SY031482, AB0027311, ST2418735, TR-038199, 4CH-012624, FT-0692701, W9131, MFCD07375127 (95%), S-6492, J-517356, 2-PYRIDINECARBOXYLIC ACID, 5-CHLORO-3-METHYL-, C7H6ClNO2, ACN-055577, 5-Chloro-3-methylpyridine-2-carboxylicacid, 5-chloro-3-methylpyridine-2-carboxylic acid, 95% - 1G 1g,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.58g/mol
Monoisotopic Mass	171.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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