4-Fluoro-3-methoxybenzonitrile

C₈H₆FNOCAS 243128-37-2151.14 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₈H₆FNO
Molar mass: 151.14 g/mol
Exact mass: 151.0433 Da
logP: 1.71Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

243128-37-2

SMILES

COc1cc(C#N)ccc1F

InChIKey

FOWHAPVFVBXMBK-UHFFFAOYSA-N

InChI

InChI=1S/C8H6FNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,1H3

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Names and synonyms

2 names

Benzonitrile, 4-fluoro-3-methoxy-
3-Methoxy-4-fluorobenzonitrile

Work with 4-Fluoro-3-methoxybenzonitrile

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-Difluorobenzonitrile64248-62-063 % similar 3-Methoxy-4-methylbenzonitrile3556-60-362 % similar 4-Hydroxy-3-methoxybenzonitrile4421-08-360 % similar 3-Ethoxy-4-methoxybenzonitrile60758-86-357 % similar 4-Fluoro-3-methylbenzonitrile185147-08-456 % similar 3-Chloro-4-methoxybenzonitrile102151-33-756 % similar 3-Bromo-4-methoxybenzonitrile117572-79-956 % similar 3-Hydroxy-4-methoxybenzonitrile52805-46-656 % similar

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

Same formula

3-Fluoro-4-methylphenyl isocyanate102561-42-2 2-Fluoro-5-methoxybenzonitrile127667-01-0 1-Fluoro-4-(isocyanatomethyl)benzene132740-43-3 5-Fluoro-2-methoxybenzonitrile189628-38-4 3-Fluoro-4-methoxybenzonitrile331-62-4 5-Fluoro-1,3-dihydroindol-2-one56341-41-4 5-Fluoro-2-methylphenyl isocyanate67191-93-9 7-Fluoro-1,3-dihydro-2H-indol-2-one71294-03-6

Elsewhere

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