AG00DI2B

4722-76-3 | 5-bromo-2-methyl-1H-pyrimidine-4,6-dione

AG00DI2B

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CAS Number	4722-76-3
Catalog Number	AG00DI2B(AGN-PC-0OAKMX)
Chemical Name	5-bromo-2-methyl-1H-pyrimidine-4,6-dione
IUPAC Name	5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one
InChI	InChI=1S/C5H5BrN2O2/c1-2-7-4(9)3(6)5(10)8-2/h1H3,(H2,7,8,9,10)
InChI Key	BROYZQSAVGDLBG-UHFFFAOYSA-N
MDL Number	MFCD18427081
Molecular Formula	C5H5BrN2O2
Molecular Weight	205.0094
SMILES	O=C1N=C(C)NC(O)=C1Br
Synonyms	5-Bromo-6-hydroxy-2-methylpyrimidin-4(1H)-one, 4722-76-3, 5-Bromo-2-methyl-pyrimidine-4,6-diol, AC1MMPH5, AC1Q2P0U, DTXSID20390814, KS-00000R9I, ZINC5200217, MFCD18427081, 5-bromo-2-methyl-4,6-pyrimidinediol, 5-bromo-2-methylpyrimidine-4,6-diol, AKOS015154990, AKOS016012526, AKOS023562184, DS-5320, MCULE-2696769148, AJ-53579, AK126858, 4CH-003144, FT-0743800, 5-bromo-4-hydroxy-2-methyl-1H-pyrimidin-6-one, 5-bromo-6-hydroxy-2-methyl-4(1h)-pyrimidinone, CID3264667, 5-bromo-2-methyl-1H-pyrimidine-4,6-dione, 5-bromo-6-hydroxy-2-methyl-3H-pyrimidin-4-one,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.953g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	205.011g/mol
Monoisotopic Mass	203.953g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	61.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

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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