AG001REG

1598-63-6 | 4(3H)-Pyrimidinone, 5-fluoro-6-hydroxy-2-methyl-

AG001REG

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CAS Number	1598-63-6
Catalog Number	AG001REG(AGN-PC-0O4K9U)
Chemical Name	4(3H)-Pyrimidinone, 5-fluoro-6-hydroxy-2-methyl-
IUPAC Name	5-fluoro-4-hydroxy-2-methyl-1H-pyrimidin-6-one
InChI	InChI=1S/C5H5FN2O2/c1-2-7-4(9)3(6)5(10)8-2/h1H3,(H2,7,8,9,10)
InChI Key	REAPDCOFEGTTLS-UHFFFAOYSA-N
MDL Number	MFCD11520459
Molecular Formula	C5H5FN2O2
Molecular Weight	144.1038
NSC Number	33038
SMILES	CC1=NC(=O)C(F)=C(O)N1
Synonyms	1598-63-6, 5-fluoro-2-methylpyrimidine-4,6-diol, 5-Fluoro-6-hydroxy-2-methyl-4(1H)-pyrimidinone, 5-Fluoro-4,6-dihydroxy-2-methylpyrimidine, 5-fluoro-4-hydroxy-2-methyl-1H-pyrimidin-6-one, AK-39087, 4(3H)-Pyrimidinone,5-fluoro-6-hydroxy-2-methyl-, Q-103426, NSC33038, AC1L5R1O, AC1Q4HL3, SCHEMBL1190533, SCHEMBL10826305, CTK4D0235, 4(1H)-Pyrimidinone, 5-fluoro-6-hydroxy-2-methyl- (9CI), DTXSID60283711, REAPDCOFEGTTLS-UHFFFAOYSA-N, BCP23153, KS-00000HZ7, ANW-56054, BBL104172, MFCD11520459, NSC-33038, STL557986, ZINC17289381, AKOS006325795, AKOS016001116, AKOS023621795, FCH2245684, AJ-70020, DS-13003, SY108642, 2-Methyl-4,6 dihydroxy-5-fluoropyrimidine, 4,6-dihydroxy-5-fluoro-2-methylpyrimidine, AX8162501, DB-024884, TR-032255, 4CH-001594, CS-0045792, FT-0683030, MFCD16660402 (95%), Z-0126, 5-fluoro-6-hydroxy-2-methylpyrimidin-4(1H)-one, 5-Fluoro-6-hydroxy-2-methylpyrimidin-4(3H)-one, I03-0053, I03-1292, AR-1G8205, CID233895, 4 -Pyrimidinone,5-fluoro-6-hydroxy-2-methyl-, 19740-72-8,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.034g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	144.105g/mol
Monoisotopic Mass	144.034g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	61.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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