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15018-59-4 | 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1,3,6-trimethyl-
CAS No: 15018-59-4 Catalog No: AG001ME2 MDL No:MFCD01150913
Product Description
Catalog Number:
AG001ME2
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-bromo-1,3,6-trimethyl-
CAS Number:
15018-59-4
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
MDL Number:
MFCD01150913
IUPAC Name:
5-bromo-1,3,6-trimethylpyrimidine-2,4-dione
InChI:
InChI=1S/C7H9BrN2O2/c1-4-5(8)6(11)10(3)7(12)9(4)2/h1-3H3
InChI Key:
RJNYZLOAGXCCHJ-UHFFFAOYSA-N
SMILES:
Cc1n(C)c(=O)n(c(=O)c1Br)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.985g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.065g/mol
Monoisotopic Mass:
231.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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