AG00ECP9

590371-38-3 | 3-(TRIFLUOROMETHYL)ISONICOTINIC ACID

AG00ECP9

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CAS Number	590371-38-3
Catalog Number	AG00ECP9(AGN-PC-050B62)
Chemical Name	3-(TRIFLUOROMETHYL)ISONICOTINIC ACID
IUPAC Name	3-(trifluoromethyl)pyridine-4-carboxylic acid
InChI	InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-11-2-1-4(5)6(12)13/h1-3H,(H,12,13)
InChI Key	FBOSFEOQEZQFOC-UHFFFAOYSA-N
MDL Number	MFCD08234940
Molecular Formula	C7H4F3NO2
Molecular Weight	191.1074
SMILES	FC(C1=C(C(=O)O)C=CN=C1)(F)F
Synonyms	590371-38-3, 3-(trifluoromethyl)pyridine-4-carboxylic acid, 3-(Trifluoromethyl)isonicotinic acid, 3-Trifluoromethyl-isonicotinic acid, MFCD08234940, 3-(trifluoromethyl)-4-pyridinecarboxylic acid, 4-PYRIDINECARBOXYLIC ACID, 3-(TRIFLUOROMETHYL)-, PubChem22216, KSC268S9D, SCHEMBL115907, CTK1G8991, 3-trifluoromethylisonicotinic acid, DTXSID00649099, FBOSFEOQEZQFOC-UHFFFAOYSA-N, 3-(Trifluoromethyl)isonicotinicacid, 3-trifluoromethyl isonicotinic acid, ACT02433, BCP11636, KS-000010TF, ANW-51577, CT-501, HT1056, SBB065266, WT1948, ZINC16159934, AKOS005063540, AB43706, CS-W019443, GE-0239, MCULE-3862171886, RP03761, RTC-060053, VP12362, AC-25223, AJ-68811, AK-35772, AN-27894, BC678041, BL003418, BR-35772, QC-10336, SC-24207, SY019259, AB0004452, DB-031396, ST2417429, TC-060053, 4CH-000927, AM20061357, FT-0654931, X0099, MFCD08234940 (95%), 4-Pyridinecarboxylicacid, 3-(trifluoromethyl)-, C-1866, 3-(trifluoromethyl)isonicotinic acid, AldrichCPR, 371T383, A832120, 3S110944, 590371-38-3 3-(trifluoromethyl)isonicotinic acid, I02-0425, J-511034, Z1741975881, 590371-38-3 3-(Trifluoromethyl)pyridine-4-carboxylic acid, 3- ISONICOTINICACID, C7H4F3NO2, ACN-031620, 3-(trifluoromethyl)pyridine-4-carboxylic acid, 95% - 1G 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	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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