Molecule ID: 12652166

IUPAC Name: 2-(aminomethyl)-3,4,6-trichlorophenol

Description: The molecule is a member of the class of trichlorophenols that is phenol substituted by chloro groups at positions 3, 4 and 6 and an aminomethyl group at position 2. It is a member of trichlorophenols and a primary amino compound. It derives from a benzylamine.

SMILES: NCc1c(O)c(Cl)cc(Cl)c1Cl

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

InChI: InChI=1S/C7H6Cl3NO/c8-4-1-5(9)7(12)3(2-11)6(4)10/h1,12H,2,11H2

Molecular Properties:
- Polar Surface Area: 46.2 Ų
- LogP: 2.9