Molecule ID: 22584

IUPAC Name: 2-chlorobenzene-1,4-diamine;sulfuric acid

Description: The molecule is an arylammonium sulfate salt obtained by combining 2-chloro-1,4-phenylenediamine with one molar equivalent of sulfuric acid. It has a role as a dye. It contains a 2-chloro-1,4-phenylenediaminium.

SMILES: Nc1ccc(N)c(Cl)c1.O=S(=O)(O)O

SELFIES: [N][C][=C][C][=C][Branch1][C][N][C][Branch1][C][Cl][=C][Ring1][Branch2].[O][=S][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: nan