chempirical

3-Fluoro-4-methoxyphenylacetonitrile

C9H8FNOCAS 404-90-0165.17 g/mol

Open in Covalent MOL file
ONF
Aryl halideEtherNitrile

Properties

Molecular formula
C9H8FNO
Molar mass
165.17 g/mol
Exact mass
165.0590 Da
logP
1.90Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
404-90-0
SMILES
COC1=C(C=C(C=C1)CC#N)F
InChIKey
OFCMGCZEFVKTAN-UHFFFAOYSA-N
InChI
InChI=1S/C9H8FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3

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Work with 3-Fluoro-4-methoxyphenylacetonitrile

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-Dimethoxybenzeneacetonitrile93-17-471 % similar 3,4-Difluorobenzeneacetonitrile658-99-167 % similar 3-Bromo-4-methoxyphenylacetonitrile772-59-863 % similar 3-Fluoro-4-methoxybenzyl bromide331-61-359 % similar 3-Fluoro-4-methoxybenzyl chloride351-52-059 % similar (4-Hydroxy-3-methoxyphenyl)acetonitrile4468-59-159 % similar 4-Benzyloxy-3-methoxyphenylacetonitrile1700-29-457 % similar (4-Chloro-3-fluoro-phenyl)-acetonitrile251570-03-355 % similar

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

Same formula

4-Fluoro-2-methyl-1H-indol-5-ol288385-88-6 6-Fluoro-5-methoxy-1H-indole63762-83-4

Elsewhere

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