Molecule ID: 10800

IUPAC Name: 2-methyl-4,6-dinitrophenol

Description: The molecule is a hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6. It has a role as a dinitrophenol insecticide, a fungicide and a herbicide. It is a dinitrophenol acaricide, a nitrotoluene and a hydroxytoluene. It derives from an o-cresol and a 2,4-dinitrophenol.

SMILES: Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

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

InChI: InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 2.1