2-Fluoro-4-hydroxybenzonitrile

C₇H₄FNOCAS 82380-18-5137.11 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Phenol

Properties

Molecular formula: C₇H₄FNO
Molar mass: 137.11 g/mol
Exact mass: 137.0277 Da
logP: 1.40Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H318 Causes serious eye damageSerious eye damage/eye irritation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 608-062-00-6), via PubChem.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, P501

Identifiers

CAS number

82380-18-5

SMILES

N#Cc1ccc(O)cc1F

InChIKey

REIVHYDACHXPNH-UHFFFAOYSA-N

InChI

InChI=1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H

Weigh it out

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

Names and synonyms

5 names

Benzonitrile, 2-fluoro-4-hydroxy-
3-Fluoro-4-cyanophenol
4-Hydroxy-2-fluorobenzonitrile
4-Cyano-3-fluorophenol
4-Nitrile-3-fluorophenol

Work with 2-Fluoro-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

4-Hydroxybenzene-1,2-dicarbonitrile30757-50-765 % similar 4-Bromo-2-fluorobenzonitrile105942-08-363 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-662 % similar 2,4-Difluorobenzonitrile3939-09-162 % similar 2,6-Difluoro-4-hydroxybenzonitrile123843-57-259 % similar 2-Fluoro-4-iodobenzonitrile137553-42-558 % similar 4-Amino-2-fluorobenzonitrile53312-80-458 % similar 4-Chloro-2-fluorobenzonitrile57381-51-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Fluorophenyl isocyanate1195-45-5 2-Cyano-3-fluorophenol140675-43-0 2-Fluorophenyl isocyanate16744-98-2 3-Fluorophenyl isocyanate404-71-7 4-Cyano-2-fluorophenol405-04-9

Elsewhere

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