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71732-11-1 | 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-[(3-chlorophenyl)methylene]-
CAS No: 71732-11-1 Catalog No: AG005FML MDL No:MFCD00117970
Product Description
Catalog Number:
AG005FML
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-[(3-chlorophenyl)methylene]-
CAS Number:
71732-11-1
Molecular Formula:
C11H7ClN2O3
Molecular Weight:
250.6379
MDL Number:
MFCD00117970
IUPAC Name:
5-[(3-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C11H7ClN2O3/c12-7-3-1-2-6(4-7)5-8-9(15)13-11(17)14-10(8)16/h1-5H,(H2,13,14,15,16,17)
InChI Key:
MGFPVSZRXPTMDW-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=Cc2cccc(c2)Cl)C(=O)N1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.638g/mol
Monoisotopic Mass:
250.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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