AG000OE3

1256804-49-5 | 2-Pyridinecarboxylic acid, 4-(difluoromethyl)-

AG000OE3

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CAS Number	1256804-49-5
Catalog Number	AG000OE3(AGN-PC-0WAKV1)
Chemical Name	2-Pyridinecarboxylic acid, 4-(difluoromethyl)-
IUPAC Name	4-(difluoromethyl)pyridine-2-carboxylic acid
InChI	InChI=1S/C7H5F2NO2/c8-6(9)4-1-2-10-5(3-4)7(11)12/h1-3,6H,(H,11,12)
InChI Key	LBKZMIRLIORABF-UHFFFAOYSA-N
MDL Number	MFCD18256210
Molecular Formula	C7H5F2NO2
Molecular Weight	173.1169
SMILES	O=C(C1=NC=CC(C(F)F)=C1)O
Synonyms	4-(Difluoromethyl)picolinic acid, 1256804-49-5, 4-(Difluoromethyl)pyridine-2-carboxylic acid, KS-00000L0V, MFCD18256210, AKOS024199278, ZINC214044028, AK281521, DS-11257, 2-Pyridinecarboxylic acid, 4-(difluoromethyl)-, 4-(DIFLUOROMETHYL)PYRIDINE-2-CARBOXYLICACID,

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	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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