chempirical

2-Fluoro-5-nitrobenzonitrile

C7H3FN2O2CAS 17417-09-3166.11 g/mol

Open in Covalent MOL file
N+OO−NF
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
17417-09-3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C#N)F
InChIKey
YLACBMHBZVYOAP-UHFFFAOYSA-N
InChI
InChI=1S/C7H3FN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H

Weigh it out

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

Work with 2-Fluoro-5-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-Nitrophthalonitrile31643-49-971 % similar 2-Chloro-5-nitrobenzonitrile16588-02-663 % similar 2-Cyano-4-nitroaniline17420-30-363 % similar 2-Methyl-5-nitrobenzonitrile939-83-363 % similar 3,4-Difluoronitrobenzene369-34-662 % similar 1-Fluoro-2,4-dinitrobenzene70-34-858 % similar 3-Chloro-4-fluoronitrobenzene350-30-155 % similar 2-Fluoro-5-nitrobenzenamine369-36-855 % similar

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

Same formula

3-Fluoro-2-nitrobenzonitrile1000339-52-5 4-Fluoro-3-nitrobenzonitrile1009-35-4

Elsewhere

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