Molecule ID: 7672

IUPAC Name: isocyanatobenzene

Description: The molecule is an isocyanate composed of a benzene ring bearing a single isocyanato substituent. It has a role as a hapten and an allergen. It is a member of isocyanates and a member of benzenes.

SMILES: O=C=Nc1ccccc1

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

InChI: InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H

Molecular Properties:
- Polar Surface Area: 29.4 Ų
- LogP: 2.7