AG001PXU

158063-66-2 | 3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-

AG001PXU

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CAS Number	158063-66-2
Catalog Number	AG001PXU(AGN-PC-0KKYB5)
Chemical Name	3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-
IUPAC Name	4-(trifluoromethyl)pyridine-3-carboxylic acid
InChI	InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)
InChI Key	LMRJHNFECNKDKH-UHFFFAOYSA-N
MDL Number	MFCD00082626
Molecular Formula	C7H4F3NO2
Molecular Weight	191.1074
SMILES	O=C(O)c1cnccc1C(F)(F)F
UNII	04F679X18B
Synonyms	4-(Trifluoromethyl)nicotinic acid, 158063-66-2, 4-(Trifluoromethyl)pyridine-3-carboxylic acid, 3-pyridinecarboxylic acid, 4-(trifluoromethyl)-, tfna, 4-Trifluoromethyl-nicotinic acid, 4-Trifluoromethylnicotinic acid, UNII-04F679X18B, MFCD00082626, 4-Trifluoromethylpyridine-3-carboxylic acid, 4-trifluoromethyl nicotinic acid, 04F679X18B, 3-Carboxy-4-(trifluoromethyl)pyridine, 4-(TRIFLUOROMETHYL)-3-PYRIDINECARBOXYLIC ACID, Maybridge1_006267, 4-(Trifluoromethyl)nicotinicacid, AC1MCRSP, PubChem15025, Flonicamid (free acid), G00005-Watson-Int, ACMC-209un8, AC1Q73ZT, KSC489O7P, SCHEMBL379950, CTK3I9777, HMS559E19, ZINC77309, DTXSID60380557, LMRJHNFECNKDKH-UHFFFAOYSA-N, 4-(trifluoromethyl)-nicotinic acid, ACT02437, BCP26774, KS-000007NX, ANW-43986, BBL100515, SBB028515, STL554309, WT2041, AKOS005063385, AC-6898, AN-9567, CM14491, CS-W019964, EF10162, FS-1142, HP11393, MCULE-4612245241, PB25961, RP03758, RTC-020800, TRA0051427, 4-(Trifluoromethyl)nicotinic acid, 97%, AJ-10405, AK-25464, BC677138, BR-25464, SC-20285, SY007861, 4-trifluoromethyl-3-pyridinecarboxylic acid, AB0020495, AB1004395, DB-011246, ST2418053, TC-020800, 4-trifluoromethyl-3-pyridine carboxylic acid, 4-trifluoromethyl-pyridine-3-carboxylic acid, 4CH-000574, AM20050841, C2592, FT-0616933, ST50408456, V1382, MFCD00082626 (97%), S-2082, 063T662, 158063-66-2 4-(Trifluoromethyl)nicotinic acid, 4-TRIFLUOROMETHYL-3-PYRIDINCARBOXYLIC ACID, 3S101161, 3S210874, 4-(Trifluoromethyl)pyridine-3-carboxylic acid, 98%, I02-0279, Q-101056, InChI=1/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13, 2D 3D Load Save Zoom 4-(trifluoromethyl)nicotinic acid, C7H4F3NO2, 3-Chloro-2,4-difluorobenzonitrile, CT-572, ACN-028368, CID2777549, A3481,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.019g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.109g/mol
Monoisotopic Mass	191.019g/mol
Rotatable Bond Count	1
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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number