AG000J90

1227489-68-0 | 3-Pyridinecarboxylic acid, 2-amino-4-(trifluoromethyl)-

AG000J90

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CAS Number	1227489-68-0
Catalog Number	AG000J90(AGN-PC-0WAGCS)
Chemical Name	3-Pyridinecarboxylic acid, 2-amino-4-(trifluoromethyl)-
IUPAC Name	2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid
InChI	InChI=1S/C7H5F3N2O2/c8-7(9,10)3-1-2-12-5(11)4(3)6(13)14/h1-2H,(H2,11,12)(H,13,14)
InChI Key	HLNBKIZJWCGTIO-UHFFFAOYSA-N
MDL Number	MFCD16606257
Molecular Formula	C7H5F3N2O2
Molecular Weight	206.1220
SMILES	O=C(O)C1=C(N)N=CC=C1C(F)(F)F
Synonyms	2-AMINO-4-(TRIFLUOROMETHYL)NICOTINIC ACID, 1227489-68-0, 2-AMINO-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLIC ACID, SCHEMBL15880100, HLNBKIZJWCGTIO-UHFFFAOYSA-N, 1497AJ, MFCD16606257, ZINC88190112, AKOS024260939, AB70916, DS-8323, NE61079, 2-Amino-4-trifluoromethyl-nicotinic acid, AK155188, SC-51519, AJ-128174, DB-019797, FT-0731507, 3-Pyridinecarboxylic acid, 2-amino-4-(trifluoromethyl)-, Z2510258280, C7H5F3N2O2,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.03g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	206.124g/mol
Monoisotopic Mass	206.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	76.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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