AG0030YP

306960-77-0 | 5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-

AG0030YP

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CAS Number	306960-77-0
Catalog Number	AG0030YP(AGN-PC-0N70OE)
Chemical Name	5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-
IUPAC Name	2-(trifluoromethyl)pyrimidine-5-carboxylic acid
InChI	InChI=1S/C6H3F3N2O2/c7-6(8,9)5-10-1-3(2-11-5)4(12)13/h1-2H,(H,12,13)
InChI Key	RGLZXVNOHDUMRJ-UHFFFAOYSA-N
MDL Number	MFCD09054851
Molecular Formula	C6H3F3N2O2
Molecular Weight	192.0954
SMILES	OC(=O)c1cnc(nc1)C(F)(F)F
Synonyms	2-(trifluoromethyl)pyrimidine-5-carboxylic Acid, 306960-77-0, C6H3F3N2O2, MFCD09054851, 5-PYRIMIDINECARBOXYLIC ACID, 2-(TRIFLUOROMETHYL)-, 2-(Trifluoromethyl)-5-pyrimidinecarboxylic acid, 5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)- (9CI), PubChem13190, SCHEMBL186013, CTK1C2052, DTXSID00442047, RGLZXVNOHDUMRJ-UHFFFAOYSA-N, BCP27190, ANW-44023, BBL102510, STL556313, ZINC19616000, AKOS005064003, AB49627, CS-W015828, CT-1014, HP22931, MCULE-7568782864, RTC-061858, TRA0023804, AC-23072, AJ-74021, AK-28604, AN-28972, DS-11083, SC-22947, 2-Trifluoromethylpyrimidine-5-carboxylicacid, AB0032275, DB-000803, ST2416287, TC-061858, 2-trifluoromethylpyrimidine-5-carboxylic acid, 4CH-014732, AM20090431, FT-0602136, X5569, 2-(Trifluoromethyl)-5-pyrimidinecarboxilic acid, 2-Trifluoromethyl-pyrimidine-5-carboxylic acid, X-4244, 5-Pyrimidinecarboxylicacid, 2-(trifluoromethyl)-, 960T770, I03-0234, 2-(Trifluoromethyl)pyrimidine-5-carboxylic acid, 97%, I14-91744, F2167-0020, Z1742055011, 2- PYRIMIDINE-5-CARBOXYLICACID, ACN-026973, CID10583889, A15466, 2-(Trifluoromethyl)pyrimidine-5-carboxylic acid, 96% - 1G 1g, 306960-74-7,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.015g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.097g/mol
Monoisotopic Mass	192.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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