Basic information
- Standard SMILES
CCNc1cccc([N+](=O)[O-])c1- InChIKey
HTVZQOWXJLNSFO-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422757
Names & identifiers
- Preferred name
- N-ethyl-3-nitroaniline
- IUPAC
- N-ethyl-3-nitroaniline
Names & synonyms
N-ethyl-3-nitroaniline4319-19-1N-ethyl-3-nitro-aniline3-Nitro-N-ethylanilineSCHEMBL730213SCHEMBL4599560SCHEMBL9194669HTVZQOWXJLNSFO-UHFFFAOYSA-NAKOS005348872DB-255714
Database identifiers
- PubChem CID
- 3765741
- Nikkaji
- J28.365G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Related reactions
1 records
Compound notes
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