chempirical

4-Fluoro-3-nitrobenzonitrile

C7H3FN2O2CAS 1009-35-4166.11 g/mol

Open in Covalent MOL file
NN+OO−F
Aryl halideNitrileNitro

Properties

Molecular formula
C7H3FN2O2
Molar mass
166.11 g/mol
Exact mass
166.0179 Da
logP
1.61Crippen estimate
Polar surface area
66.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
1009-35-4
SMILES
C1=CC(=C(C=C1C#N)[N+](=O)[O-])F
InChIKey
LKOWKPGBAZVHOF-UHFFFAOYSA-N
InChI
InChI=1S/C7H3FN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H

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Work with 4-Fluoro-3-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-Cyano-2-nitrophenol3272-08-063 % similar 4-Amino-3-nitrobenzonitrile6393-40-463 % similar 4-Methyl-3-nitrobenzonitrile939-79-763 % similar 4-Chloro-3-nitrobenzonitrile939-80-063 % similar 2,5-Difluoronitrobenzene364-74-960 % similar 3,5-Difluoro-4-nitrobenzonitrile1123172-88-259 % similar 3-Methyl-4-nitrobenzonitrile96784-54-259 % similar 1-Fluoro-2,4-dinitrobenzene70-34-858 % similar

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

Same formula

3-Fluoro-2-nitrobenzonitrile1000339-52-5

Elsewhere

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