2,6-Difluoro-4-hydroxybenzonitrile

C₇H₃F₂NOCAS 123843-57-2155.10 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Phenol

Properties

Molecular formula: C₇H₃F₂NO
Molar mass: 155.10 g/mol
Exact mass: 155.0183 Da
logP: 1.54Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

123843-57-2

SMILES

N#Cc1c(F)cc(O)cc1F

InChIKey

KEIYYIGMDPTAPL-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F2NO/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,11H

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

Names and synonyms

3 names

Benzonitrile, 2,6-difluoro-4-hydroxy-
3,5-Difluoro-4-cyanophenol
4-Cyano-3,5-difluorophenol

Work with 2,6-Difluoro-4-hydroxybenzonitrile

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-hydroxybenzonitrile82380-18-559 % similar 4-Bromo-2,6-difluorobenzonitrile123843-67-457 % similar 2,6-Difluorobenzonitrile1897-52-552 % similar 4-Hydroxy-2,6-dimethylbenzonitrile58537-99-852 % similar 2,6-Difluoro-4-methoxybenzonitrile123843-66-352 % similar 3,4,5-Trifluorophenol99627-05-150 % similar 3,5-Dihydroxybenzonitrile19179-36-348 % similar 3,4-Difluorophenol2713-33-948 % similar

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

Same formula

2,3-Difluoro-4-hydroxybenzonitrile126162-38-7 1,4-Difluoro-2-isocyanatobenzene39718-32-6

Elsewhere

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