1-(2,4-Dinitrophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine

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Basic information

CAS: 78070-19-6
Standard SMILES: O=[N+]([O-])c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1
InChIKey: LXVGWGHRZBJQMX-UHFFFAOYSA-N
Molecular formula: C17H15F3N4O4
Average molar mass: 396.32 g/mol
Monoisotopic mass: 396.10453946

Names & identifiers

Preferred name: 1-(2,4-Dinitrophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
IUPAC: 1-(2,4-dinitrophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine

Names & synonyms

1-(2,4-dinitrophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine78070-19-6NSC 1478941-(2,4-Dinitrophenyl)-4-(3-(trifluoromethyl)phenyl)piperazineNSC147894DTXSID70302003NSC-147894

Database identifiers

CAS: 78070-19-6
PubChem CID: 287765
DTXSID: DTXSID70302003

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 98.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 2
Heavy atoms: 28
Formal charge: 0
Complexity: 572

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Compound notes

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