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155164-68-4 | 3(2H)-Pyridazinone, 4,5-dichloro-2-(4-methoxybenzoyl)-
CAS No: 155164-68-4 Catalog No: AG001NO5 MDL No:
Product Description
Catalog Number:
AG001NO5
Chemical Name:
3(2H)-Pyridazinone, 4,5-dichloro-2-(4-methoxybenzoyl)-
CAS Number:
155164-68-4
Molecular Formula:
C12H8Cl2N2O3
Molecular Weight:
299.1095
IUPAC Name:
4,5-dichloro-2-(4-methoxybenzoyl)pyridazin-3-one
InChI:
InChI=1S/C12H8Cl2N2O3/c1-19-8-4-2-7(3-5-8)11(17)16-12(18)10(14)9(13)6-15-16/h2-6H,1H3
InChI Key:
YMDJBSMXCVZKDP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.991g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.107g/mol
Monoisotopic Mass:
297.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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