3,5-Difluoro-4-nitrobenzonitrile

C₇H₂F₂N₂O₂CAS 1123172-88-2184.10 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Nitro

Properties

Molecular formula: C₇H₂F₂N₂O₂
Molar mass: 184.10 g/mol
Exact mass: 184.0084 Da
logP: 1.74Crippen estimate
Polar surface area: 66.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

1123172-88-2

SMILES

N#Cc1cc(F)c([N+](=O)[O-])c(F)c1

InChIKey

NZIZYTSUHGNYMD-UHFFFAOYSA-N

InChI

InChI=1S/C7H2F2N2O2/c8-5-1-4(3-10)2-6(9)7(5)11(12)13/h1-2H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Benzonitrile, 3,5-difluoro-4-nitro-

Work with 3,5-Difluoro-4-nitrobenzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Fluoro-3-nitrobenzonitrile1009-35-459 % similar 1,3,5-Trifluoro-2-nitrobenzene315-14-059 % similar 3,5-Dinitrobenzonitrile4110-35-458 % similar 3-Fluoro-2-nitrobenzonitrile1000339-52-555 % similar 1,3-Difluoro-2-nitrobenzene19064-24-552 % similar 1,2,3,5-Tetrafluoro-4-nitrobenzene314-41-051 % similar 4-Chloro-3,5-dinitrobenzonitrile1930-72-951 % similar 3,4,5-Trifluorobenzonitrile134227-45-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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