chempirical

3-Fluoro-4-methoxybenzonitrile

C8H6FNOCAS 331-62-4151.14 g/mol

Open in Covalent MOL file
ONF
Aryl halideEtherNitrile

Properties

Molecular formula
C8H6FNO
Molar mass
151.14 g/mol
Exact mass
151.0433 Da
Melting point
96.5 °C
Boiling point
96–98 °C (at 1.5 Torr)
logP
1.71Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
331-62-4
SMILES
COc1ccc(C#N)cc1F
InChIKey
FEEOVAOEPGQDTJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3

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

Names and synonyms

3 names
  • Benzonitrile, 3-fluoro-4-methoxy-
  • p-Anisonitrile, 3-fluoro-
  • 4-Methoxy-3-fluorobenzonitrile

Work with 3-Fluoro-4-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-Chloro-4-methoxybenzonitrile102151-33-760 % similar 3-Bromo-4-methoxybenzonitrile117572-79-960 % similar 3-Hydroxy-4-methoxybenzonitrile52805-46-660 % similar 4-Methoxy-3-trifluoromethylbenzonitrile261951-87-559 % similar 3-Methoxy-4-methylbenzonitrile3556-60-357 % similar 3-Ethoxy-4-methoxybenzonitrile60758-86-357 % similar 3-Fluoro-4-methoxyphenol452-11-956 % 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 4-Fluoro-3-methoxybenzonitrile243128-37-2 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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