AG000SWP

126538-81-6 | 4(3H)-Pyrimidinone, 5-bromo-6-(trifluoromethyl)-

AG000SWP

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CAS Number	126538-81-6
Catalog Number	AG000SWP(AGN-PC-006AOC)
Chemical Name	4(3H)-Pyrimidinone, 5-bromo-6-(trifluoromethyl)-
IUPAC Name	5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one
InChI	InChI=1S/C5H2BrF3N2O/c6-2-3(5(7,8)9)10-1-11-4(2)12/h1H,(H,10,11,12)
InChI Key	GUMRBYBFTLXIKZ-UHFFFAOYSA-N
MDL Number	MFCD09901776
Molecular Formula	C5H2BrF3N2O
Molecular Weight	242.9814
SMILES	O=C1N=CNC(C(F)(F)F)=C1Br
Synonyms	5-bromo-6-(trifluoromethyl)pyrimidin-4-ol, 942060-14-2, 126538-81-6, 5-bromo-6-(trifluoromethyl)-4-pyrimidinol, 5-Bromo-6-(trifluoromethyl)pyrimidin-4-one, 5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one, 5-BROMO-4-HYDROXY-6-TRIFLUOROMETHYLPYRIMIDINE, 5-Bromo-4-trifluoromethyl-pyrimidin-6-one, C5H2BrF3N2O, 5-Bromo-6-trifluoromethyl-3H-pyrimidin-4-one, 5-bromo-6-(trifluoromethyl)-1H-pyrimidin-4-one, bromotrifluoromethylpyrimidinol, SCHEMBL603330, CTK5H5758, CTK8C3469, GUMRBYBFTLXIKZ-UHFFFAOYSA-N, KS-000024BY, ANW-56836, ANW-70135, KM3257, MFCD09901776, MFCD09901814, SBB099645, TD8043, ZINC11804406, AKOS005072229, AKOS005135863, AKOS016001643, AB54636, ACN-051815, DD-0212, GS-1944, MCULE-5817517334, RP13871, RTR-029469, 6-trifluoromethyl-5-bromopyrimidin-4-ol, 5-bromo-4-trifluoromethylpyrimidin-6-one, AC-30548, AJ-60195, AM804583, DA-19072, SC-33356, DB-079816, 4CH-012207, CS-0035587, FT-0680932, FT-0751692, ST24023975, ST24029405, V9389, Z2958, C-2090, 5-bromo-6-(trifluoromethyl)-4(3H)-Pyrimidinone, 5-Bromo-6-(trifluoromethyl)pyrimidine-4(3H)-one, I03-907, 4(3H)-Pyrimidinone, 5-bromo-6-(trifluoromethyl)-, 5-BROMO-6-(TRIFLUOROMETHYL)-PYRIMIDIN-4-OL, J-517119, Z2568757989, 5-Bromo-6-(trifluoromethyl)pyrimidin-4(1H)-one, CID11299507,

Complexity	281
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.93g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.983g/mol
Monoisotopic Mass	241.93g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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