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148119-31-7 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(3,4-dichlorophenyl)methylene]-
CAS No: 148119-31-7 Catalog No: AG001FGV MDL No:MFCD00117908
Product Description
Catalog Number:
AG001FGV
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(3,4-dichlorophenyl)methylene]-
CAS Number:
148119-31-7
Molecular Formula:
C11H6Cl2N2O3
Molecular Weight:
285.0829
MDL Number:
MFCD00117908
IUPAC Name:
5-[(3,4-dichlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C11H6Cl2N2O3/c12-7-2-1-5(4-8(7)13)3-6-9(16)14-11(18)15-10(6)17/h1-4H,(H2,14,15,16,17,18)
InChI Key:
QCMSLEGYKUUIKJ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=Cc2ccc(c(c2)Cl)Cl)C(=O)N1
NSC Number:
98005
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.976g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.08g/mol
Monoisotopic Mass:
283.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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