N-(4-hydroxybutyl)-3-nitrobenzamide
Basic information
- CAS
413573-35-0- Standard SMILES
O=C(NCCCCO)c1cccc([N+](=O)[O-])c1- InChIKey
VNMZWNCKOACTBK-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Names & identifiers
- Preferred name
- N-(4-hydroxybutyl)-3-nitrobenzamide
- IUPAC
- N-(4-hydroxybutyl)-3-nitrobenzamide
Names & synonyms
N-(4-hydroxybutyl)-3-nitrobenzamide413573-35-0DTXSID901293081STK022915AKOS000668748ST50630597N-(4-hydroxybutyl)(3-nitrophenyl)carboxamideAG-690/12763113
Database identifiers
- CAS
413573-35-0- PubChem CID
- 2832222
- DTXSID
DTXSID901293081
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…