Molecule ID: 6740

IUPAC Name: 1-chloro-2-methyl-3-nitrobenzene

Description: The molecule is a nitrotoluene that is toluene in which the hydrogens ortho- to the methyl group have been replaced by a chlorine and a nitro group. A low-melting (37 鈩? solid. It is a nitrotoluene, a member of monochlorobenzenes and a volatile organic compound.

SMILES: Cc1c(Cl)cccc1[N+](=O)[O-]

SELFIES: [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]

InChI: InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3

Molecular Properties:
- Polar Surface Area: 45.8 Ų
- LogP: 3.1