chempirical

2,6-Difluoro-3-nitrobenzonitrile

C7H2F2N2O2CAS 143879-77-0184.10 g/mol

Open in Covalent MOL file
N+OO−FNF
Aryl halideNitrileNitro

Properties

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

Identifiers

CAS number
143879-77-0
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])F)C#N)F
InChIKey
JQHDRFKDZHGEBQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H2F2N2O2/c8-5-1-2-6(11(12)13)7(9)4(5)3-10/h1-2H

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Work with 2,6-Difluoro-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

1,2,3-Trifluoro-4-nitrobenzene771-69-763 % similar 4-Fluoro-3-nitrobenzonitrile1009-35-457 % similar 3-Fluoro-4-nitrobenzonitrile218632-01-057 % similar 2-Chloro-1,3-difluoro-4-nitrobenzene3847-58-356 % similar 2,3,6-Trifluorobenzonitrile136514-17-556 % similar 2,6-Dinitrobenzonitrile35213-00-454 % similar 1,2-Difluoro-3-nitrobenzene6921-22-854 % similar 2-Chloro-3,4-difluoro-1-nitrobenzene169468-83-153 % similar

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

Same formula

3,5-Difluoro-4-nitrobenzonitrile1123172-88-2

Elsewhere

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