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101080-71-1 | 2,4(1H,3H)-Pyrimidinedione, 1-(4-chlorophenyl)-
CAS No: 101080-71-1 Catalog No: AG0003OI MDL No:
Product Description
Catalog Number:
AG0003OI
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(4-chlorophenyl)-
CAS Number:
101080-71-1
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
IUPAC Name:
1-(4-chlorophenyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C10H7ClN2O2/c11-7-1-3-8(4-2-7)13-6-5-9(14)12-10(13)15/h1-6H,(H,12,14,15)
InChI Key:
GLUGEITYGBVXPJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1ccc(=O)[nH]c1=O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.628g/mol
Monoisotopic Mass:
222.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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