Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C14H7Br3F3N3O4
- Molecular weight
- 577.93 g/mol
- IUPAC name
- N-methyl-2,4-dinitro-N-(2,4,6-tribromophenyl)-6-(trifluoromethyl)aniline
- SMILES
- CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)C2=C(C=C(C=C2Br)Br)Br
- InChIKey
- USMZPYXTVKAYST-UHFFFAOYSA-N
- XLogP
- 6.2
- Polar surface area
- 94.9 Ų
- H-bond donors
- 0
- H-bond acceptors
- 8
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 574.793876664
Show 3 more facts
- chemical formula
- C₁₄H₇Br₃F₃N₃O₄
- canonical SMILES
- CN(C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2Br)Br)Br
- Commons category
- Bromethalin
Sources (2)
via Wikidata · CC0