AG008NBA

80194-69-0 | 5-(Trifluoromethyl)pyridine-2-carboxylic acid

AG008NBA

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CAS Number	80194-69-0
Catalog Number	AG008NBA(AGN-PC-0NCO2U)
Chemical Name	5-(Trifluoromethyl)pyridine-2-carboxylic acid
IUPAC Name	5-(trifluoromethyl)pyridine-2-carboxylic acid
InChI	InChI=1S/C7H4F3NO2/c8-7(9,10)4-1-2-5(6(12)13)11-3-4/h1-3H,(H,12,13)
InChI Key	NJHGVAYLDHROPT-UHFFFAOYSA-N
MDL Number	MFCD04113632
Molecular Formula	C7H4F3NO2
Molecular Weight	191.1074
SMILES	O=C(O)C1=NC=C(C(F)(F)F)C=C1
Synonyms	80194-69-0, 5-(trifluoromethyl)pyridine-2-carboxylic Acid, 5-(trifluoromethyl)picolinic acid, 5-Trifluoromethyl-2-pyridinecarboxylic acid, 5-(Trifluoromethyl)-2-pyridinecarboxylic acid, 5-trifluoromethyl-pyridine-2-carboxylic acid, 5-(trifluoromethyl)-pyridine-2-carboxylic acid, MFCD04113632, 2-PYRIDINECARBOXYLIC ACID, 5-(TRIFLUOROMETHYL)-, 5-(trifluoromethyl)pyridine-2-carboxylicacid, PubChem15164, ACMC-209pj2, KSC447Q5N, SCHEMBL211804, AC1Q743U, CTK3E7856, KS-00000FBX, DTXSID40448028, NJHGVAYLDHROPT-UHFFFAOYSA-N, BH380, ABBYPHARMA AP-18-5220, BCP20008, ANW-37356, AR2108, BBL100541, CT-504, SBB053043, STL554335, WT1936, ZINC12505592, AKOS005072643, AB17699, AF10198, AN-2160, CS-W008670, FC-0609, LS20071, MCULE-4273513467, QC-1453, RP03762, RTR-025412, TRA0029989, VP10925, NCGC00331098-01, AC-24947, AJ-62543, AK-24588, BC207957, BR-24588, EN000547, SC-23138, 5-trifluoromethylpyridine-2-carboxylic acid, AB0001657, AB1004305, DB-011829, TR-025412, 4CH-000925, A9947, AM20061518, FT-0650009, ST24029303, ST50949607, X3231, EN300-27612, 2-Pyridinecarboxylicacid, 5-(trifluoromethyl)-, B-5259, AB01325306-02, 194T690, 5-(Trifluoromethyl)pyridine-2-carboxylic acid, 95%, I02-0427, J-516457, Z235344883, 80194-69-0 5-(Trifluoromethyl)pyridine-2-carboxylic acid, C7H4F3NO2, ACN-031618, CID10910349, T2975, 5-(Trifluoromethyl)pyridine-2-carboxylic acid, 97% 1g,

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	1.6

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

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