AG000ZNB

131747-41-6 | 2-(Trifluoromethyl)Isonicotinic Acid

AG000ZNB

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CAS Number	131747-41-6
Catalog Number	AG000ZNB(AGN-PC-002GGU)
Chemical Name	2-(Trifluoromethyl)Isonicotinic Acid
IUPAC Name	2-(trifluoromethyl)pyridine-4-carboxylic acid
InChI	InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-4(6(12)13)1-2-11-5/h1-3H,(H,12,13)
InChI Key	BZFGKBQHQJVAHS-UHFFFAOYSA-N
MDL Number	MFCD07774132
Molecular Formula	C7H4F3NO2
Molecular Weight	191.1074
SMILES	O=C(O)c1ccnc(c1)C(F)(F)F
Synonyms	B 1793, B 1939, B-1793, B-1939, E 7389, E-7389, ER 086526, ER-086526, ER-86526, ER086526, eribulin, eribulin (as mesylate), eribulin mesilate, eribulin mesylate, eribulin monomethanesulfonate, Halaven, NSC 707389, NSC-707389, NSC707389, 2-(trifluoromethyl)isonicotinic acid, 131747-41-6, 2-(trifluoromethyl)pyridine-4-carboxylic acid, 2-Trifluoromethyl-isonicotinic acid, 2-(Trifluoromethyl)-4-pyridinecarboxylic acid, MFCD07774132, 4-PYRIDINECARBOXYLIC ACID, 2-(TRIFLUOROMETHYL)-, 2-(Trifluoromethyl)isonicotinicacid, PubChem18487, 4-Pyridinecarboxylicacid, ACMC-1C8B9, KSC174G3F, SCHEMBL503171, CTK0H4332, KS-00000MHX, DTXSID10563696, BZFGKBQHQJVAHS-UHFFFAOYSA-N, BCP10399, ANW-52016, CT-845, SBB053024, WT2008, ZINC20357759, AKOS006282770, AB42319, AN-2819, CS-W008451, FS-2591, RP25065, RTR-004352, TRA0053106, VP15225, WT82496, AC-24533, AJ-77168, AK-24076, BC208717, BR-24076, QC-10310, SC-21049, SY035544, AB0035459, DB-027497, ST2409430, 4CH-003058, A2762, AM20050762, FT-0649976, X9802, MFCD07774132 (97%), 4-Pyridinecarboxylicacid, 2-(trifluoromethyl)-, B-1793, 747T416, 131747-41-7 2-(Trifluoromethyl)isonicotinic acid, 2-(Trifluoromethyl)pyridine-4-carboxylic acid, 97%, I02-1538, J-506673, S02-0239, Z1741972910, C7H4F3NO2, ACN-028040, T3269, 2-(trifluoromethyl)pyridine-4-carboxylic acid, 95% - 1G 1g, (S)-4,5,6,7-Tetrahydro-3-phenylmethyl-3H-imidazo[4,5-c]pyridine-6-carboxylic acid,

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-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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