2-(o-Chlorobenzyl)-4-nitroaniline
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Basic information
- Standard SMILES
Nc1ccc([N+](=O)[O-])cc1Cc1ccccc1Cl- InChIKey
IKJHNXGQANRXPN-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O2
- Average molar mass
- 262.69 g/mol
Names & identifiers
- Preferred name
- 2-(o-Chlorobenzyl)-4-nitroaniline
- IUPAC
- 2-[(2-chlorophenyl)methyl]-4-nitroaniline
Names & synonyms
SCHEMBL11779404IKJHNXGQANRXPN-UHFFFAOYSA-N2-(o-chlorobenzyl)-4-nitroaniline2-(0-chlorobenzyl)-4-nitroaniline
Database identifiers
- PubChem CID
- 21497364
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
3 records
Compound notes
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