Basic information
- Standard SMILES
N#Cc1c(OCCCCCCCCCO)cccc1[N+](=O)[O-]- InChIKey
UOSNIUMTJBNBGB-UHFFFAOYSA-N- Molecular formula
- C16H22N2O4
- Average molar mass
- 306.36 g/mol
Names & identifiers
- Preferred name
- 2-(9-Hydroxynonyloxy)-6-nitrobenzonitrile
- IUPAC
- 2-(9-hydroxynonoxy)-6-nitrobenzonitrile
Names & synonyms
SCHEMBL618683UOSNIUMTJBNBGB-UHFFFAOYSA-N2-(9-hydroxynonyloxy)-6-nitrobenzonitrile
Database identifiers
- PubChem CID
- 66745844
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Related reactions
2 records
Compound notes
Loading…