Basic information
- CAS
25877-78-5- Standard SMILES
CNc1ccc(-c2ccccc2)cc1[N+](=O)[O-]- InChIKey
LTDSADSPDPDWRR-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Names & identifiers
- Preferred name
- n-Methyl-3-nitrobiphenyl-4-amine
- IUPAC
- N-methyl-2-nitro-4-phenylaniline
Names & synonyms
25877-78-5n-methyl-3-nitrobiphenyl-4-amineNSC86689N-Methyl-3-nitro[1,1'-biphenyl]-4-amineSCHEMBL7981545DTXSID50948761NSC-86689SY472530DB-144303N-Methyl-3-nitro-[1,1 inverted exclamation mark -biphenyl]-4-amine
Database identifiers
- CAS
25877-78-5- PubChem CID
- 258043
- DTXSID
DTXSID50948761
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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