Molecule ID: 5111791

IUPAC Name: 4-nitrobenzene-1,2-diamine

Description: The molecule is the primary amino compound that is 1,2-phenylenediamine (o-phenylenediamine) substituted at the 4- (para-) position by a nitro group. It is a primary amino compound and a C-nitro compound. It derives from a 1,2-phenylenediamine.

SMILES: Nc1ccc([N+](=O)[O-])cc1N

SELFIES: [N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N]

InChI: InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2

Molecular Properties:
- Polar Surface Area: 97.9 Ų
- LogP: 0.9