Molecule ID: 7220

IUPAC Name: 2H-benzotriazole

Description: The molecule is the simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring. It has a role as an environmental contaminant and a xenobiotic.

SMILES: c1ccc2[nH]nnc2c1

SELFIES: [C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2]

InChI: InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)

Molecular Properties:
- Polar Surface Area: 41.6 Ų
- LogP: 1.0