AG003LHH

2836-44-4 | 4-HYDROXY-2-METHYL-6-TRIFLUOROMETHYLPYRIMIDINE

AG003LHH

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CAS Number	2836-44-4
Catalog Number	AG003LHH(AGN-PC-0JOB3I)
Chemical Name	4-HYDROXY-2-METHYL-6-TRIFLUOROMETHYLPYRIMIDINE
IUPAC Name	2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
InChI	InChI=1S/C6H5F3N2O/c1-3-10-4(6(7,8)9)2-5(12)11-3/h2H,1H3,(H,10,11,12)
InChI Key	DBDRDWKBAGNHHS-UHFFFAOYSA-N
MDL Number	MFCD03265321
Molecular Formula	C6H5F3N2O
Molecular Weight	178.1119
NSC Number	33044
SMILES	CC1=NC(C=C(C(F)(F)F)N1)=O
Synonyms	2-methyl-6-(trifluoromethyl)pyrimidin-4-ol, 2836-44-4, 4-Hydroxy-2-methyl-6-trifluoromethylpyrimidine, 4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine, 2-Methyl-6-trifluoromethylpyrimidin-4-ol, 4-Pyrimidinol, 2-methyl-6-(trifluoromethyl)-, DBDRDWKBAGNHHS-UHFFFAOYSA-N, 2-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one, 2-Methyl-6-(trifluoromethyl)-4-pyrimidinol, 4(1H)-Pyrimidinone, 2-methyl-6-(trifluoromethyl)-, 2-methyl-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one, NSC33044, AC1Q4IJT, KSC205O1H, SCHEMBL603692, AC1L5R26, SCHEMBL9025674, CTK1A5713, DTXSID20283717, CS-D1587, KS-00000DZ4, ZINC8698474, ANW-51648, HTS001888, MFCD03265321, NSC-33044, SBB089367, AKOS006280002, AKOS021615027, AKOS025395569, AB13862, AM86833, BS-3211, FS-3113, GS-6538, RP23929, TRA0054430, VZ24969, AC-10798, AJ-58101, AK-21919, BR-21919, CJ-13432, HC210520, SY027301, AB0023950, DB-001991, TR-032546, 4CH-006099, FT-0656905, ST24032508, W5113, 2-Methyl-4-hydroxy-6-trifluoromethylpyrimidine, 2-Methyl-6-(trifluoromethyl)-4-pyrimidinol #, 2-Methyl-6-trifluoromethyl-4H-pyrimidin-4-one, C-1460, MFCD03265321 (95+%), 2-methyl-6-(trifluoromethyl)-1H-pyrimidin-4-one, 2-Methyl-6-(trifluoromethyl)-4(1H)-pyrimidinone, 2-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone, 4(3H)-Pyrimidinone,2-methyl-6-(trifluoromethyl)-, I03-0279, J-515476, F1907-0229, Z1741976166, C6H5F3N2O, AR-1E3781, CID233901, H1602, 4-Hydroxy-2-methyl-6-trifluoromethylpyrimidine, 98% - 1G 1g, 1034-49-7, 34086-68-5,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.035g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.114g/mol
Monoisotopic Mass	178.035g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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