AG000CZK

1166828-13-2 | 2-Pyridinecarboxylic acid, 6-chloro-5-methyl-

AG000CZK

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CAS Number	1166828-13-2
Catalog Number	AG000CZK(AGN-PC-01UCTS)
Chemical Name	2-Pyridinecarboxylic acid, 6-chloro-5-methyl-
IUPAC Name	6-chloro-5-methylpyridine-2-carboxylic acid
InChI	InChI=1S/C7H6ClNO2/c1-4-2-3-5(7(10)11)9-6(4)8/h2-3H,1H3,(H,10,11)
InChI Key	ZURJURQGGWNOFN-UHFFFAOYSA-N
MDL Number	MFCD13176716
Molecular Formula	C7H6ClNO2
Molecular Weight	171.5810
SMILES	O=C(C1=NC(Cl)=C(C)C=C1)O
Synonyms	6-Chloro-5-methylpyridine-2-carboxylic acid, 1166828-13-2, 6-CHLORO-5-METHYLPICOLINIC ACID, 6-Chloro-5-methyl-pyridine-2-carboxylic acid, SCHEMBL1106060, CTK8B4544, KS-00000OOI, DTXSID60592799, ZURJURQGGWNOFN-UHFFFAOYSA-N, ANW-45432, MFCD13176716, ZINC67172930, AKOS015842367, AB66617, CS-W019905, AK-76573, BR-76573, DS-16719, AB0034937, AJ-116828, TC-063193, 4CH-010376, ST24024358, X9173, S-5886, 6-CHLORO-5-METHYL-2-PYRIDINECARBOXYLIC ACID, 2-PYRIDINECARBOXYLIC ACID, 6-CHLORO-5-METHYL-, C7H6ClNO2, SC-51322,

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	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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