AG0037PT

1546-78-7 | 4-Hydroxy-6-Trifluoromethylpyrimidine

AG0037PT

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CAS Number	1546-78-7
Catalog Number	AG0037PT(AGN-PC-0K2UI0)
Chemical Name	4-Hydroxy-6-Trifluoromethylpyrimidine
IUPAC Name	4-(trifluoromethyl)-1H-pyrimidin-6-one
InChI	InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-4(11)10-2-9-3/h1-2H,(H,9,10,11)
InChI Key	LVOYSBZJJWPUBD-UHFFFAOYSA-N
MDL Number	MFCD00192530
Molecular Formula	C5H3F3N2O
Molecular Weight	164.0853
SMILES	FC(c1ncnc(c1)O)(F)F
Synonyms	1546-78-7, 4-Hydroxy-6-(trifluoromethyl)pyrimidine, 6-Trifluoromethyl-4-pyrimidinol, 4-Hydroxy-6-trifluoromethylpyrimidine, 6-(trifluoromethyl)pyrimidin-4-ol, 6-(Trifluoromethyl)-4-pyrimidinol, 6-(trifluoromethyl)-1H-pyrimidin-4-one, 6-Trifluoromethyl-pyrimidin-4-ol, 6-(Trifluoromethyl)pyrimidin-4-one, 6-(trifluoromethyl)pyrimidin-4(3h)-one, 4-?Hydroxy-?6-?(trifluoromethyl)?pyrimidine, MFCD00192530, 4(1H)-Pyrimidinone, 6-(trifluoromethyl)-, 6-trifluoromethyl-4-hydroxypyrimidine, zlchem 832, PubChem11010, trifluoromethylpyrimidinol, AC1LOQW5, ACMC-1BSA5, SCHEMBL18590, KSC495E2J, SCHEMBL3480448, 6-trifluoromethylpyrimidin-4-ol, 4-trifluoromethylpyrimidin-6-one, CTK3J5224, LVOYSBZJJWPUBD-UHFFFAOYSA-, DTXSID80361444, ZLD0293, LVOYSBZJJWPUBD-UHFFFAOYSA-N, ACT06211, KS-00000KD2, ANW-21522, BBL019737, CH-409, HTS001887, SBB087755, STL226844, TD8042, ZINC12958923, AKOS000320398, AKOS005135862, BS-3883, CD-0251, MCULE-6251991135, RP10294, RTR-006443, VZ30850, 6-(trifluoromethyl)hydropyrimidin-4-one, 6-(trifluoromethyl)-4(3H)-pyrimidinone, 6-(Trifluoromethyl)pyrimidin-4(1H)-one, AC-25660, AJ-63335, AK-27684, AN-49418, BR-27684, R811, SC-65573, SY021665, 6-(TRIFLUOROMETHYL)-PYRIMIDIN-4-OL, AB0022499, ST2418401, TR-006443, 4CH-003207, AM20080398, CS-0036824, FT-0621319, H2469, ST50994587, W3373, MFCD00192530 (98%), 4-Hydroxy-6-(trifluoromethyl)pyrimidine, 99%, C-2210, 6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one, 546T787, I03-0171, J-009131, J-518138, InChI=1/C5H3F3N2O/c6-5(7,8)3-1-4(11)10-2-9-3/h1-2H,(H,9,10,11), C5H3F3N2O, ZINC01081172, ACN-025228, CID1268071, A3401, T1601, 4-Hydroxy-6-(trifluoromethyl)pyrimidine, 98% - 5G 5g,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.087g/mol
Monoisotopic Mass	164.02g/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

Lot Number