AG000OEW

1256809-21-8 | 3-Pyridinecarboxylic acid, 2-(difluoromethyl)-

AG000OEW

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CAS Number	1256809-21-8
Catalog Number	AG000OEW(AGN-PC-0WCYH7)
Chemical Name	3-Pyridinecarboxylic acid, 2-(difluoromethyl)-
IUPAC Name	2-(difluoromethyl)pyridine-3-carboxylic acid
InChI	InChI=1S/C7H5F2NO2/c8-6(9)5-4(7(11)12)2-1-3-10-5/h1-3,6H,(H,11,12)
InChI Key	MWRJZXKVDQJAQU-UHFFFAOYSA-N
MDL Number	MFCD18257239
Molecular Formula	C7H5F2NO2
Molecular Weight	173.1169
SMILES	FC(C1=NC=CC=C1C(=O)O)F
Synonyms	2-(difluoromethyl)pyridine-3-carboxylic acid, 1256809-21-8, 2-(Difluoromethyl)nicotinic acid, SCHEMBL3932427, MFCD18257239, ZINC95097666, AKOS024056089, SC-70595, 2-(Difluoromethyl)-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 2-(difluoromethyl)-, F2147-8249, Z2830704531, 6-chloro-2-(difluoromethyl)nicotinic acid, 1256794-35-0, N/A,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.029g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.119g/mol
Monoisotopic Mass	173.029g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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