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72255-62-0 | 2,4(1H,3H)-Pyrimidinedione, 6-[(4-bromo-3-methylphenyl)amino]-
CAS No: 72255-62-0 Catalog No: AG005J2W MDL No:
Product Description
Catalog Number:
AG005J2W
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[(4-bromo-3-methylphenyl)amino]-
CAS Number:
72255-62-0
Molecular Formula:
C11H10BrN3O2
Molecular Weight:
296.1200
IUPAC Name:
6-(4-bromo-3-methylanilino)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C11H10BrN3O2/c1-6-4-7(2-3-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,1H3,(H3,13,14,15,16,17)
InChI Key:
WVTSCLAJVZVRSW-UHFFFAOYSA-N
SMILES:
O=c1cc(Nc2ccc(c(c2)C)Br)[nH]c(=O)[nH]1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.996g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.124g/mol
Monoisotopic Mass:
294.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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