AG00FCML

66909-29-3 | 6-chloro-5-methylpyridine-3-carboxylic acid

AG00FCML

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CAS Number	66909-29-3
Catalog Number	AG00FCML(AGN-PC-0NIV1U)
Chemical Name	6-chloro-5-methylpyridine-3-carboxylic acid
IUPAC Name	6-chloro-5-methylpyridine-3-carboxylic acid
InChI	InChI=1S/C7H6ClNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H,10,11)
InChI Key	MAOUFLRMKAFPTB-UHFFFAOYSA-N
MDL Number	MFCD17214192
Molecular Formula	C7H6ClNO2
Molecular Weight	171.5810
SMILES	O=C(O)C1=CN=C(Cl)C(C)=C1
Synonyms	6-Chloro-5-methylnicotinic acid, 66909-29-3, 6-CHLORO-5-METHYLPYRIDINE-3-CARBOXYLIC ACID, 5-Carboxy-2-chloro-3-methylpyridine, SCHEMBL427869, CHEMBL3236913, DTXSID20495833, 6-chloro-5-methyl-nicotinic acid, MAOUFLRMKAFPTB-UHFFFAOYSA-N, KS-000027EH, MFCD17214192, RW3819, ZINC66322824, AKOS016010399, AB71754, KH-0724, QC-3309, RP02688, AK116295, SC-70994, AB0041943, AJ-115890, ST2412321, Y9777, 3-Pyridinecarboxylic acid, 6-chloro-5-methyl-, C-2552, J-518596, C7H6ClNO2, 6-Chloro-5-methylnicotinicacid, 6-chloro-5-methylpyridine-3-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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