AG006J04

672-47-9 | 2-(TRIFLUOROMETHYL)PYRIMIDINE-4,6-DIOL

AG006J04

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CAS Number	672-47-9
Catalog Number	AG006J04(AGN-PC-0OG1JF)
Chemical Name	2-(TRIFLUOROMETHYL)PYRIMIDINE-4,6-DIOL
IUPAC Name	4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
InChI	InChI=1S/C5H3F3N2O2/c6-5(7,8)4-9-2(11)1-3(12)10-4/h1H,(H2,9,10,11,12)
InChI Key	AMGBKPNVGVAFEN-UHFFFAOYSA-N
MDL Number	MFCD02678234
Molecular Formula	C5H3F3N2O2
Molecular Weight	180.0847
NSC Number	52339
SMILES	OC1=CC(O)=NC(=N1)C(F)(F)F
Synonyms	2-(trifluoromethyl)pyrimidine-4,6-diol, 672-47-9, 2-Trifluoromethyl-pyrimidine-4,6-diol, 2-Trifluoromethylpyrimidine-4,6-diol, 4,6-DIHYDROXY-2-(TRIFLUOROMETHYL)PYRIMIDINE, MFCD02678234, 4,6-Dihydroxy-2-trifluoromethylpyrimidine, 4(1H)-Pyrimidinone,6-hydroxy-2-(trifluoromethyl)-, 6-hydroxy-2-(trifluoromethyl)-3,4-dihydropyrimidin-4-one, NSC52339, AC1L6AUO, AC1Q6BUA, SCHEMBL1759453, CTK5C5929, DTXSID30287741, AMGBKPNVGVAFEN-UHFFFAOYSA-N, KS-00003GX5, ZINC4396989, ANW-74612, BBL101159, NSC-52339, SBB089611, STL554955, AKOS000320492, AKOS006345751, AKOS022420920, AS-5218, HP21528, MCULE-2961451509, AC-25252, AJ-51038, AJ-51039, SC-83211, AB0002551, AB1004390, DB-011571, TC-063397, FT-0681882, Y-9539, 4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one, I03-0488, 4,6-Dihydroxy-2-(trifluoromethyl)pyrimidine, AldrichCPR, F2124-0816, Z1874937386, null, 2- PYRIMIDINE-4,6-DIOL, AR-1C9956, CID243103, 6-hydroxy-2-(trifluoromethyl)-4(1H)-Pyrimidinone, 7789-04-0,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.086g/mol
Monoisotopic Mass	180.015g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	61.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number