2,6-Difluoro-4-methoxybenzonitrile

C₈H₅F₂NOCAS 123843-66-3169.13 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₈H₅F₂NO
Molar mass: 169.13 g/mol
Exact mass: 169.0339 Da
logP: 1.85Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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

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 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 2-Fluoro-6-methoxybenzonitrile94088-46-751 % similar

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

Same formula

2,4-Difluoro-3-methoxybenzonitrile220353-20-8 2,3-Difluoro-4-methoxybenzonitrile256417-12-6 4,5-Difluoro-2-methoxybenzonitrile425702-28-9

Elsewhere

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