Basic information
- CAS
53059-29-3- Standard SMILES
Nc1cccc(-c2ccc([N+](=O)[O-])cc2)c1- InChIKey
IOKXTTPVYZCVCV-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422757
Names & identifiers
- Preferred name
- 3-Biphenylamine, 4'-nitro-
- IUPAC
- 3-(4-nitrophenyl)aniline
- English name
- 4'-Nitro-3-biphenylamine
- Molecular formula
- C12H10N2O2
- Molecular weight
- 214.22
Names & synonyms
53059-29-34'-Nitro-3-biphenylamine3-BIPHENYLAMINE, 4'-NITRO-4'-Nitro-[1,1'-biphenyl]-3-amine3-Amino-4'-nitrobiphenylBRN 2974094CHEMBL164296SCHEMBL3798737SCHEMBL26673982DTXSID102011224'-Nitro[1,1'-biphenyl]-3-amineDB-316685
Show more names
3AMINO4NITROBIPHENYL4'-Nitrobiphenyl-3-amine[1,1'-Biphenyl]-3-amine, 4'-nitro-
4 inverted exclamation marka-Nitro[1,1 inverted exclamation marka-biphenyl]-3-amine
Database identifiers
- CAS
53059-29-3- PubChem CID
- 40606
- DTXSID
DTXSID10201122- ChEMBL
CHEMBL164296- Nikkaji
- J89.743D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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