Benzenamine, N-(3,4-dibromophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)-

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Basic information

CAS: 84529-64-6
Standard SMILES: CN(c1ccc(Br)c(Br)c1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F
InChIKey: FCYBQDNAFJSGIK-UHFFFAOYSA-N
Molecular formula: C14H8Br2F3N3O4
Average molar mass: 499.03 g/mol
Monoisotopic mass: 496.88337

Names & identifiers

Preferred name: Benzenamine, N-(3,4-dibromophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)-
IUPAC: N-(3,4-dibromophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline

Names & synonyms

N-(3,4-Dibromophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)anilineDTXSID3073682Benzenamine, N-(3,4-dibromophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)-RefChem:322983DTXCID004842084529-64-6SCHEMBL11435555

Database identifiers

CAS: 84529-64-6
PubChem CID: 158665
DTXSID: DTXSID3073682

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 94.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 26
Formal charge: 0
Complexity: 543

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