AG002M9U

231291-22-8 | 3-Pyridinecarboxylic acid, 6-(trifluoromethyl)-

AG002M9U

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CAS Number	231291-22-8
Catalog Number	AG002M9U(AGN-PC-0KKYB7)
Chemical Name	3-Pyridinecarboxylic acid, 6-(trifluoromethyl)-
IUPAC Name	6-(trifluoromethyl)pyridine-3-carboxylic acid
InChI	InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-4(3-11-5)6(12)13/h1-3H,(H,12,13)
InChI Key	JNYLMODTPLSLIF-UHFFFAOYSA-N
MDL Number	MFCD00792430
Molecular Formula	C7H4F3NO2
Molecular Weight	191.1074
NSC Number	727682
SMILES	O=C(O)c1cnc(cc1)C(F)(F)F
Synonyms	6-(Trifluoromethyl)nicotinic acid, 231291-22-8, 6-(Trifluoromethyl)pyridine-3-carboxylic acid, 6-Trifluoromethylnicotinic acid, 6-Trifluoromethyl-nicotinic acid, 3-Pyridinecarboxylic acid, 6-(trifluoromethyl)-, 2-Trifluoromethyl-5-pyridinecarboxylic acid, MFCD00792430, 6-trifluoromethyl nicotinic acid, 2-(trifluoromethyl)pyridine-5-carboxylic acid, 6-trifluoromethyl-3-pyridinecarboxylic acid, 6-trifluoromethylpyridine-3-carboxylic acid, 6-(Trifluoromethyl)-3-pyridinecarboxylic Acid, PubChem7390, AC1MCRSR, ACMC-209g1b, AC1Q73BN, AC1Q73YD, 6-trifluormethylnicotinic acid, KSC207E8T, SCHEMBL186213, Jsp004668, CTK1A7289, DTXSID20380558, JNYLMODTPLSLIF-UHFFFAOYSA-N, ZINC154400, ACN-S004041, ACT02403, BCP22794, AN-783, ANW-25053, BBL101352, CT-223, CT0120, FC0369, GEO-02388, NSC727682, SBB028514, STL555148, WT1974, 5-Carboxy-2-(trifluoromethyl)pyridine, AKOS000117978, AB07094, AC-2460, BCP9000188, CM10986, CS-W009256, FA-0727, LS21248, MCULE-7057770546, NSC-727682, RP03759, RTR-010795, TRA0096836, NCGC00336474-01, AJ-13206, AK-25625, BR-25625, EN002839, FS001049, HC150016, L839, SC-02677, SY001329, AB0014916, AB1001188, DB-001320, ST2412164, TL8001927, TR-010795, 4CH-000568, AM20050975, FT-0644075, ST50406812, EN300-27607, MFCD00792430 (97%), 3-Pyridinecarboxylicacid, 6-(trifluoromethyl)-, C-1250, AB01330972-02, 231291-22-8 6-(Trifluoromethyl)nicotinic acid, 291T228, 3S102400, 3S210888, 6-(Trifluoromethyl)pyridine-3-carboxylic acid, 96%, I02-0269, W-200240, F2191-0125, C7H4F3NO2, ACN-028371, CID2777551, C2914, T2203, 6-Trifluoromethyl nicotinic acid, 98% - 1G 1g, 609-09-6,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number