Basic information
- CAS
109825-81-2- Standard SMILES
CC(C)(C)c1cc([N+](=O)[O-])c(Nc2c(Cl)cc(Cl)cc2Cl)c([N+](=O)[O-])c1- InChIKey
AMYVHWOHYKSDKG-UHFFFAOYSA-N- Molecular formula
- C16H14Cl3N3O4
- Average molar mass
- 418.7 g/mol
- Monoisotopic mass
- 417.004989
Names & identifiers
- Preferred name
- 4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine
- IUPAC
- 4-tert-butyl-2,6-dinitro-N-(2,4,6-trichlorophenyl)aniline
Names & synonyms
4-tert-Butyl-2,6-dintro-2',4',6'-trichlorodiphenylamine109825-81-2DTXSID1073789SCHEMBL10796457Benzenamine, 4-(1,1-dimethylethyl)-2,6-dinitro-N-(2,4,6-trichlorophenyl)-N-(4-tert-Butyl-2,6-dinitrophenyl)-2,4,6-trichloroaniline
Database identifiers
- CAS
109825-81-2- PubChem CID
- 176136
- DTXSID
DTXSID1073789
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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