Basic information
- CAS
75643-45-7- Standard SMILES
N#Cc1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n[nH]c1=O- InChIKey
NTDONNIDVGEZRE-UHFFFAOYSA-N- Molecular formula
- C17H9Cl2N3O
- Average molar mass
- 342.2 g/mol
- Monoisotopic mass
- 341.0122673
Names & identifiers
- Preferred name
- 4-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-dihydro-3-oxo-
- IUPAC
- 3,4-bis(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carbonitrile
Names & synonyms
75643-45-74-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-dihydro-3-oxo-NSC351477CHEMBL31526SCHEMBL11169710DTXSID10226557NSC 351477NSC-3514775,6-bis(4-chlorophenyl)-3-oxo-2,3-dihydropyridazine-4-carbonitrile
Database identifiers
- CAS
75643-45-7- PubChem CID
- 100709
- DTXSID
DTXSID10226557- ChEMBL
CHEMBL31526
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…