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78731-51-8 | 2,4(1H,3H)-Pyrimidinedione, 5-(2-bromo-1-chloroethenyl)-
CAS No: 78731-51-8 Catalog No: AG005JUS MDL No:
Product Description
Catalog Number:
AG005JUS
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-(2-bromo-1-chloroethenyl)-
CAS Number:
78731-51-8
Molecular Formula:
C6H4BrClN2O2
Molecular Weight:
251.4652
IUPAC Name:
5-(2-bromo-1-chloroethenyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C6H4BrClN2O2/c7-1-4(8)3-2-9-6(12)10-5(3)11/h1-2H,(H2,9,10,11,12)
InChI Key:
XFPGPBKTWIFNAA-UHFFFAOYSA-N
SMILES:
BrC=C(c1c[nH]c(=O)[nH]c1=O)Cl
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.914g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.464g/mol
Monoisotopic Mass:
249.914g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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