AG008TR7

1040683-15-5 | 2(1H)-PYRIDINONE, 3-FLUORO-5-(TRIFLUOROMETHYL)-

AG008TR7

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CAS Number	1040683-15-5
Catalog Number	AG008TR7(AGN-PC-0WAG9H)
Chemical Name	2(1H)-PYRIDINONE, 3-FLUORO-5-(TRIFLUOROMETHYL)-
IUPAC Name	3-fluoro-5-(trifluoromethyl)-1H-pyridin-2-one
InChI	InChI=1S/C6H3F4NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)
InChI Key	OCURQJAHXGYNOF-UHFFFAOYSA-N
MDL Number	MFCD10699119
Molecular Formula	C6H3F4NO
Molecular Weight	181.0877
SMILES	OC1=NC=C(C=C1F)C(F)(F)F
Synonyms	1040683-15-5, 3-fluoro-5-(trifluoromethyl)pyridin-2-ol, 3-Fluoro-2-hydroxy-5-(trifluoromethyl)pyridine, 3-Fluoro-5-(trifluoromethyl)pyridin-2(1H)-one, SCHEMBL1498826, SCHEMBL17362093, CTK8A0860, DTXSID40616381, OCURQJAHXGYNOF-UHFFFAOYSA-N, ANW-55848, SBB089749, ZINC19738650, AKOS005255380, FCH1110760, RP03221, AJ-74815, AB0039428, AX8308472, DB-059089, TR-055106, FT-0732599, TL80073996, Y6891, X-4156, 2(1H)-Pyridinone, 3-fluoro-5-(trifluoromethyl)-, J-512517, I14-94674, 3-fluoro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one, C6H3F4NO,

Complexity	276
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.09g/mol
Monoisotopic Mass	181.015g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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