3-Fluoro-4-iodobenzonitrile

C₇H₃FINCAS 887266-99-1247.01 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃FIN
Molar mass: 247.01 g/mol
Exact mass: 246.9294 Da
logP: 2.30Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

887266-99-1

SMILES

C1=CC(=C(C=C1C#N)F)I

InChIKey

NPKQMCCUPXZXFI-UHFFFAOYSA-N

InChI

InChI=1S/C7H3FIN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H

Weigh it out

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

Work with 3-Fluoro-4-iodobenzonitrile

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

3,4-Difluorobenzonitrile64248-62-064 % similar 3-Fluoro-4-methylbenzonitrile170572-49-361 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-660 % similar 4-Chloro-3-fluorobenzonitrile110888-15-856 % similar 4-Bromo-3-fluorobenzonitrile133059-44-656 % similar 4-Fluoro-3-methylbenzonitrile185147-08-456 % similar 4-Cyano-2-fluorophenol405-04-956 % similar 4-Amino-3-fluorobenzonitrile63069-50-156 % similar

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

Same formula

2-Fluoro-4-iodobenzonitrile137553-42-5 2-Fluoro-5-iodobenzonitrile351003-36-6 2-Fluoro-6-iodobenzonitrile79544-29-9

Elsewhere

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