Basic information
- CAS
125369-84-8- Standard SMILES
N#CC(=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1- InChIKey
UQGXIBCZYXRQGJ-UHFFFAOYSA-N- Molecular formula
- C17H11BrN2O2
- Average molar mass
- 355.2 g/mol
- Monoisotopic mass
- 354.00039
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile
- IUPAC
- 2-(4-bromophenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile
Names & synonyms
2-(p-Bromophenyl)-5-(o-nitrophenyl)-2,4-pentadienenitrileDTXSID501030550
Database identifiers
- CAS
125369-84-8- PubChem CID
- 154246
- DTXSID
DTXSID501030550
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…