2,4-dinitrotoluene

Synonyms: "1-methyl-2,4-dinitrobenzene", "2,4-dinitrotoluol", "2,4-DNT", "2,4-dinitromethylbenzene"

Source: 2,4-dinitrotoluene is an industrial compound used in the production of azo dyes, munitions and plastics.

Identifiers:

IUPAC Name: 1-methyl-2,4-dinitrobenzene
CAS Number: 121-14-2
PubChem ID: 8461
InChiKey: RMBFBMJGBANMMK-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Structural Properties:

Molecular Formula: C₇H₆N₂O₄
Molecular Weight: 182.134

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 13

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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