AG003KBX

588702-62-9 | 4-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID

AG003KBX

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CAS Number	588702-62-9
Catalog Number	AG003KBX(AGN-PC-0NHJNT)
Chemical Name	4-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID
IUPAC Name	4-(trifluoromethyl)pyridine-2-carboxylic acid
InChI	InChI=1S/C7H4F3NO2/c8-7(9,10)4-1-2-11-5(3-4)6(12)13/h1-3H,(H,12,13)
InChI Key	BPRWTROIQXSSOC-UHFFFAOYSA-N
MDL Number	MFCD07438043
Molecular Formula	C7H4F3NO2
Molecular Weight	191.1074
SMILES	O=C(O)C1=NC=CC(C(F)(F)F)=C1
Synonyms	588702-62-9, 4-(Trifluoromethyl)picolinic acid, 4-(Trifluoromethyl)pyridine-2-carboxylic acid, 4-(Trifluoromethyl)-2-pyridinecarboxylic acid, 4-trifluoromethyl-pyridine-2-carboxylic acid, 4-(Trifluoromethyl)pyridine-2-carboxylicacid, 4-Trifluoromethylpicolinic acid, PubChem23564, ACMC-1ATSV, 4-(Trifluoromethyl)-pyridine-2-carboxylic acid, SCHEMBL222146, CTK1G9275, KS-00000NTL, DTXSID20476006, BPRWTROIQXSSOC-UHFFFAOYSA-N, 4-(Trifluoromethyl)-picolinic acid, trifluoromethylpyridinecarboxylicacid, ACT06713, BCP01498, ANW-66669, BBL102345, CT-574, MFCD07438043, SBB053010, STL556145, WT2000, ZINC12955864, 2-Carboxy-4-(trifluoromethyl)pyridine, AKOS005072810, AB41993, CS-W015853, FD-0739, MCULE-8752821834, RP11294, RTR-020433, TRA0040131, VP10901, AC-24545, AJ-63218, AK-29440, AN-27888, QC-10314, SC-21329, SY023054, AB0006925, AB1004306, TR-020433, FT-0083637, FT-0649998, MFCD07438043 (97%), 2-Pyridinecarboxylicacid, 4-(trifluoromethyl)-, 4-(trifluoromethyl) pyridine-2-carboxylic acid, A15671, Z-0185, 702T629, 4-(Trifluoromethyl)pyridine-2-carboxylic acid, 97%, I02-0944, J-513930, 2-PYRIDINECARBOXYLIC ACID, 4-(TRIFLUOROMETHYL)-, Z2787257100, 588702-62-9 4-(trifluoromethyl)pyridine-2-carboxylic acid, null, 4-(Trifluoromethyl)picolinicacid, ACN-040427,

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	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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