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155164-69-5 | 3(2H)-Pyridazinone, 4,5-dichloro-2-(4-nitrobenzoyl)-
CAS No: 155164-69-5 Catalog No: AG001NO4 MDL No:
Product Description
Catalog Number:
AG001NO4
Chemical Name:
3(2H)-Pyridazinone, 4,5-dichloro-2-(4-nitrobenzoyl)-
CAS Number:
155164-69-5
Molecular Formula:
C11H5Cl2N3O4
Molecular Weight:
314.0811
IUPAC Name:
4,5-dichloro-2-(4-nitrobenzoyl)pyridazin-3-one
InChI:
InChI=1S/C11H5Cl2N3O4/c12-8-5-14-15(11(18)9(8)13)10(17)6-1-3-7(4-2-6)16(19)20/h1-5H
InChI Key:
DERVUVRIRITPTQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.966g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.078g/mol
Monoisotopic Mass:
312.966g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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