AG003N0F

672-45-7 | 6-(Trifluoromethyl)pyrimidine-2,4-diol

AG003N0F

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CAS Number	672-45-7
Catalog Number	AG003N0F(AGN-PC-0JOB38)
Chemical Name	6-(Trifluoromethyl)pyrimidine-2,4-diol
IUPAC Name	6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
InChI	InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-3(11)10-4(12)9-2/h1H,(H2,9,10,11,12)
InChI Key	IROWWTVZNHKLLE-UHFFFAOYSA-N
MDL Number	MFCD00052900
Molecular Formula	C5H3F3N2O2
Molecular Weight	180.0847
SMILES	O=C1NC(=CC(=O)N1)C(F)(F)F
Synonyms	6-(Trifluoromethyl)uracil, 672-45-7, 2,4-Dihydroxy-6-trifluoromethylpyrimidine, 6-(trifluoromethyl)pyrimidine-2,4-diol, 6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione, 6-trifluoromethyl-pyrimidine-2,4-diol, Uracil, 6-(trifluoromethyl)-, 2,4(1H,3H)-Pyrimidinedione, 6-(trifluoromethyl)-, 6-trifluoromethyluracil, 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione, 6-(trifluoromethyl)-1H-pyrimidine-2,4-dione, IROWWTVZNHKLLE-UHFFFAOYSA-N, MFCD01011762, 6-(trifluoromethyl)-1,3-dihydropyrimidine-2,4-dione, 2,3H)-Pyrimidinedione, 6-(trifluoromethyl)-, NSC33033, PubChem13249, AC1L5R1C, AC1Q4IJ1, KSC493O8R, SCHEMBL628335, Uracil, 6-(trifluoromethyl)-,, CTK3J3788, KS-00000DXN, DTXSID90283709, 6-(Trifluoromethyl)uracil, 97%, ACN-S003202, ACT05255, ZINC1665341, ANW-50023, NSC-33033, NSC400845, SBB089610, STL129443, 6-trifluoromethylpyrimidine-2,4-dione, AKOS000320361, AKOS005255269, CS-W002726, DS-0609, FS-1245, MCULE-6344968194, NSC-400845, RP24112, VZ30613, 6-(trifluoromethyl)-pyrimidine-2,4-diol, AC-27635, AJ-28995, AK-27728, AN-47165, BC676731, BR-27728, SC-27691, SY004692, 6-(Trifluoromethyl)-2,4-pyrimidinediol #, AB1000181, AM20100618, FT-0630126, M6351, ST50407540, W7780, EN300-73753, 6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione, C-5863, MFCD01011762 (97+%), 672T457, 6-(trifluoromethyl)pyrimidine-2,4-diol,6-(Trifluor, I07-0098, J-507227, Z1262237219, null, C5H3F3N2O2, C(F)(F)(F)c1cc(O)nc(O)n1, AR-1H0111, CID233890, R810, 6-(Trifluoromethyl)uracil, 97% - 1G 1g, 6-(Trifluoromethyl)-2,4(1H,3H)-Pyrimidinedione, 77889-92-0,

Complexity	268
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	5
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	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

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