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15018-56-1 | 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-
CAS No: 15018-56-1 Catalog No: AG001ME3 MDL No:MFCD12964069
Product Description
Catalog Number:
AG001ME3
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-
CAS Number:
15018-56-1
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
MDL Number:
MFCD12964069
IUPAC Name:
5-bromo-6-methyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C5H5BrN2O2/c1-2-3(6)4(9)8-5(10)7-2/h1H3,(H2,7,8,9,10)
InChI Key:
HEAXNUZNYDEXFG-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(=O)[nH]c(=O)c1Br
EC Number:
239-103-2
NSC Number:
53064
Properties
Complexity:
234
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:
2
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:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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