AG003N0D

386715-35-1 | 6-(Trifluoromethyl)nicotinamide

AG003N0D

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CAS Number	386715-35-1
Catalog Number	AG003N0D(AGN-PC-0KKYB1)
Chemical Name	6-(Trifluoromethyl)nicotinamide
IUPAC Name	6-(trifluoromethyl)pyridine-3-carboxamide
InChI	InChI=1S/C7H5F3N2O/c8-7(9,10)5-2-1-4(3-12-5)6(11)13/h1-3H,(H2,11,13)
InChI Key	RIKJKWNZUSPCCM-UHFFFAOYSA-N
MDL Number	MFCD01862646
Molecular Formula	C7H5F3N2O
Molecular Weight	190.1226
NSC Number	727683
SMILES	O=C(N)C1=CN=C(C(F)(F)F)C=C1
Synonyms	6-(trifluoromethyl)nicotinamide, 386715-35-1, 6-(trifluoromethyl)pyridine-3-carboxamide, 6-Trifluoromethylnicotinamide, 3-Pyridinecarboxamide, 6-(trifluoromethyl)-, AC1MCRSL, PubChem14530, trifluoromethylnicotinamide, SCHEMBL2516351, 2-(Trifluoromethyl)nicotinicacid, CTK4I0307, DTXSID40380555, ZINC154403, ACN-S004039, ANW-44107, MFCD01862646, NSC727683, SBB091064, AKOS005063520, MA-0809, MCULE-8161034868, NSC-727683, RP11242, RP24973, RTR-015586, TRA0076124, KS-00000B55, 6-(trifluoromethyl)-3-pyridinecarboxamide, AC-29134, AJ-13208, AK-78730, CJ-01331, SC-27369, SY001240, ZB005769, 3-Pyridinecarboxamide,6-(trifluoromethyl)-, AB0061830, AB1001178, TR-015586, 4CH-023617, FT-0676468, ST24045081, V5654, Z-3594, MFCD01862646 (97+%), A824224, 3S103941, I02-2545, J-518131, Z246806912, null, C7H5F3N2O, 4-(Trifluoromethyl)nicotinamide, 2-(Trifluoromethyl)nicotinic acid, ZINC00154403, CID2777545, A2764, 158062-71-6, 131747-43-8,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.035g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.125g/mol
Monoisotopic Mass	190.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	56A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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