Molecule ID: 69194

IUPAC Name: 1-isocyanato-2-methylbenzene

Description: The molecule is an isocyanate comprising a benzene core with isocyanato- and methyl substituents ortho to each other. It has a role as a hapten. It is a member of isocyanates and a member of toluenes.

SMILES: Cc1ccccc1N=C=O

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

InChI: InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3

Molecular Properties:
- Polar Surface Area: 29.4 Ų
- LogP: 3.1