Basic information
- Standard SMILES
Nc1ccc(C2COC2)cc1[N+](=O)[O-]- InChIKey
IVJIRBLBPLKPNZ-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
Names & identifiers
- Preferred name
- 2-Nitro-4-(oxetan-3-YL)aniline
- IUPAC
- 2-nitro-4-(oxetan-3-yl)aniline
Names & synonyms
2-NITRO-4-(OXETAN-3-YL)ANILINE1380292-60-3SCHEMBL9106616IVJIRBLBPLKPNZ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 67775173
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Related reactions
3 records
Compound notes
Loading…