Molecule ID: 7257

IUPAC Name: 3,4-dichloroaniline

Description: The molecule is a dichloroaniline having the two chloro-substituents at the 3- and 4-positions. It has a role as an epitope and a xenobiotic. It derives from a 1,2-dichlorobenzene.

SMILES: Nc1ccc(Cl)c(Cl)c1

SELFIES: [N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]

InChI: InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2

Molecular Properties:
- Polar Surface Area: 26.0 Ų
- LogP: 2.7