2,6-Difluoro-4-methoxybenzonitrile

C8H5F2NOCAS 123843-66-3169.13 g/mol

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OFNF
Aryl halideEtherNitrile

Properties

Molecular formula
C8H5F2NO
Molar mass
169.13 g/mol
Exact mass
169.0339 Da
logP
1.85Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
123843-66-3
SMILES
COc1cc(F)c(C#N)c(F)c1
InChIKey
CMGFDVIQHBAJHT-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F2NO/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-3H,1H3

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Names and synonyms

1 names
  • Benzonitrile, 2,6-difluoro-4-methoxy-

Work with 2,6-Difluoro-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

2-Fluoro-4-methoxybenzonitrile94610-82-961 % similar 2,4,6-Trimethoxybenzonitrile2571-54-260 % similar 2-Fluoro-5-methoxybenzonitrile127667-01-056 % similar 2,4,6-Trifluorobenzonitrile96606-37-055 % similar 3,5-Dimethoxybenzonitrile19179-31-853 % similar 2,6-Difluoro-4-hydroxybenzonitrile123843-57-252 % similar 4-Bromo-2,6-difluorobenzonitrile123843-67-452 % similar 2-Bromo-1,3-difluoro-5-methoxybenzene202865-61-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Difluoro-3-methoxybenzonitrile220353-20-8 4,6-Difluorooxindole247564-57-4 2,3-Difluoro-4-methoxybenzonitrile256417-12-6 4,5-Difluoro-2-methoxybenzonitrile425702-28-9 2-(Difluoromethoxy)benzonitrile56935-78-5 5,6-Difluorooxindole71294-07-0 4,5-Difluorooxindole850429-64-0 4-(Difluoromethoxy)benzonitrile90446-25-6

Elsewhere

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