Basic information
- Standard SMILES
O=C(NCc1ccc(Cl)cc1)c1cc(Cl)n[nH]c1=O- InChIKey
KRIHVCSRNOLUAB-UHFFFAOYSA-N- Molecular formula
- C12H9Cl2N3O2
- Average molar mass
- 298.12 g/mol
- Monoisotopic mass
- 297.0071819
Names & identifiers
- Preferred name
- 6-Chloro-3-oxo-2,3-dihydro-pyridazine-4-carboxylic acid 4-chloro-benzyl amide
- IUPAC
- 3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide
Names & synonyms
SCHEMBL4852935KRIHVCSRNOLUAB-UHFFFAOYSA-N6-Chloro-3-oxo-2,3-dihydro-pyridazine-4-carboxylic acid 4-chloro-benzyl amide
Database identifiers
- PubChem CID
- 69217820
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 440
Related reactions
1 records
Compound notes
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