Basic information
- CAS
342786-51-0- Standard SMILES
N#CC(=NNc1ccc(Br)cc1)C(=O)c1ccc(Br)cc1- InChIKey
RGILKGMGARDUCH-UHFFFAOYSA-N- Molecular formula
- C15H9Br2N3O
- Average molar mass
- 407.06 g/mol
- Monoisotopic mass
- 404.91124
Names & identifiers
- Preferred name
- N-(4-bromoanilino)-2-(4-bromophenyl)-2-oxoethanimidoyl cyanide
- IUPAC
- N-(4-bromoanilino)-2-(4-bromophenyl)-2-oxoethanimidoyl cyanide
- English name
- 3-(4-bromophenyl)-2-[(4-bromophenyl)hydrazono]-3-oxopropanenitrile
- Molecular formula
- C15H9Br2N3O
- Molecular weight
- 407.06
Names & synonyms
3-(4-bromophenyl)-2-[(4-bromophenyl)hydrazono]-3-oxopropanenitrile
Database identifiers
- CAS
342786-51-0- PubChem CID
- 1798926
Properties
Computed structural properties
- XLogP
- 6.5
- 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
- 441
Physicochemical properties
- Boiling point
- 489.509 · 489.509±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.657 · 1.657±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.344 · 5.344±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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