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89815-35-0 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2,4-dichlorophenyl)imino]-
CAS No: 89815-35-0 Catalog No: AG003Z6X MDL No:
Product Description
Catalog Number:
AG003Z6X
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2,4-dichlorophenyl)imino]-
CAS Number:
89815-35-0
Molecular Formula:
C10H5Cl2N3O3
Molecular Weight:
286.0710
IUPAC Name:
5-(2,4-dichlorophenyl)imino-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C10H5Cl2N3O3/c11-4-1-2-6(5(12)3-4)13-7-8(16)14-10(18)15-9(7)17/h1-3H,(H2,14,15,16,17,18)
InChI Key:
WRXGGGVOYNTTQG-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=Nc2ccc(cc2Cl)Cl)C(=O)N1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.971g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.068g/mol
Monoisotopic Mass:
284.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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