Basic information
- CAS
6432-78-6- Standard SMILES
N#CC(=NNc1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1- InChIKey
MJJLYDIBHXHXDW-UHFFFAOYSA-N- Molecular formula
- C15H9Cl2N3O
- Average molar mass
- 318.2 g/mol
- Monoisotopic mass
- 317.0122673
Names & identifiers
- Preferred name
- N-(3-chloroanilino)-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide
- IUPAC
- N-(3-chloroanilino)-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide
- English name
- 3-(4-chlorophenyl)-2-[(3-chlorophenyl)hydrazono]-3-oxopropanenitrile
- Molecular formula
- C15H9Cl2N3O
- Molecular weight
- 318.16
Names & synonyms
6432-78-6N-(3-chloroanilino)-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanideDTXSID103567273-(4-Chlorophenyl)-2-[2-(3-chlorophenyl)hydrazinylidene]-3-oxopropanenitrile3-(4-chlorophenyl)-2-[(3-chlorophenyl)hydrazono]-3-oxopropanenitrile
Database identifiers
- CAS
6432-78-6- PubChem CID
- 830555
- DTXSID
DTXSID10356727
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Boiling point
- 460.061 · 460.061±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.33 · 1.330±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.365 · 5.365±0.10(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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