Basic information
- CAS
444-41-7- Standard SMILES
Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F- InChIKey
VBXPHDBFAZDZOB-UHFFFAOYSA-N- Molecular formula
- C7H4F3N3O4
- Average molar mass
- 251.12 g/mol
- Monoisotopic mass
- 251.0153901
Names & identifiers
- Preferred name
- 2,4-Dinitro-6-(trifluoromethyl)aniline
- IUPAC
- 2,4-dinitro-6-(trifluoromethyl)aniline
Names & synonyms
2,4-Dinitro-6-(trifluoromethyl)aniline444-41-7DTXSID60512573RefChem:246659DTXCID70463380MFCD22053299Benzenamine, 2,4-dinitro-6-(trifluoromethyl)-2,4-Dinitro-6-trifluormethyl-anilinSCHEMBL4914101SCHEMBL9559771VBXPHDBFAZDZOB-UHFFFAOYSA-NSY358826
Database identifiers
- CAS
444-41-7- PubChem CID
- 12901591
- DTXSID
DTXSID60512573
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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