Molecule ID: 11998

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

Description: The molecule is a diamine that is 1,4-phenylenediamine substituted at position 2 by a chloro group. It has a role as a dye. It is a diamine and a member of monochlorobenzenes. It derives from a 1,4-phenylenediamine. It is a conjugate base of a 2-chloro-1,4-phenylenediaminium.

SMILES: Nc1ccc(N)c(Cl)c1

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

InChI: InChI=1S/C6H7ClN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2

Molecular Properties:
- Polar Surface Area: 52.0 Ų
- LogP: 1.6