4-Fluoro-N-(4,5-(methylenedioxy)-2-nitrobenzylidene)aniline

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Basic information

CAS: 198879-87-7
Standard SMILES: O=[N+]([O-])c1cc2c(cc1C=Nc1ccc(F)cc1)OCO2
InChIKey: CKUWGMVUVUBUDZ-UHFFFAOYSA-N
Molecular formula: C14H9FN2O4
Average molar mass: 288.23 g/mol
Monoisotopic mass: 288.05463493

Names & identifiers

Preferred name: 4-Fluoro-N-(4,5-(methylenedioxy)-2-nitrobenzylidene)aniline
IUPAC: N-(4-fluorophenyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine
English name: 4-Fluoro-N-(4,5-(methylenedioxy)-2-nitrobenzylidene)aniline
Molecular formula: C14H9FN2O4
Molecular weight: 288.23

Names & synonyms

CBMicro_013394DTXSID001175872SMSF00043874-FLUORO-N-(4,5-(METHYLENEDIOXY)-2-NITROBENZYLIDENE)ANILINEAKOS024339826CB04817198879-87-7BIM-0013417.P0014-Fluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]benzenamineN-(4-Fluorophenyl)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimineBenzenamine, 4-fluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-

Database identifiers

CAS: 198879-87-7
PubChem CID: 778932
DTXSID: DTXSID001175872

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 76.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 406

Physicochemical properties

Boiling point: 451.592 · 451.592±45.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.453 · 1.453±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

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Compound notes

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