AG01JGFX

166331-65-3 | 2-chloro-6-isopropyl-pyridine-3-carboxylic acid

AG01JGFX

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CAS Number	166331-65-3
Catalog Number	AG01JGFX(AGN-PC-0O4Q7K)
Chemical Name	2-chloro-6-isopropyl-pyridine-3-carboxylic acid
IUPAC Name	2-chloro-6-propan-2-ylpyridine-3-carboxylic acid
InChI	InChI=1S/C9H10ClNO2/c1-5(2)7-4-3-6(9(12)13)8(10)11-7/h3-5H,1-2H3,(H,12,13)
InChI Key	JFFDBWXZMOAYBN-UHFFFAOYSA-N
MDL Number	MFCD18258704
Molecular Formula	C9H10ClNO2
Molecular Weight	199.6342
SMILES	ClC1=C(C(=O)O)C=CC(=N1)C(C)C
Synonyms	2-Chloro-6-isopropylnicotinic acid, 166331-65-3, SCHEMBL4760100, 3-Pyridinecarboxylic acid, 2-chloro-6-(1-methylethyl)-, JFFDBWXZMOAYBN-UHFFFAOYSA-N,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.040006g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	199.63g/mol
Monoisotopic Mass	199.040006g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.2Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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