chempirical

3,5-Difluoro-4-hydroxy-benzonitrile

C7H3F2NOCAS 2967-54-6155.10 g/mol

Open in Covalent MOL file
FHOFN
Aryl halideNitrilePhenol

Properties

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

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
2967-54-6
SMILES
C1=C(C=C(C(=C1F)O)F)C#N
InChIKey
XZNZJDPPWWFJAL-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H

Weigh it out

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Work with 3,5-Difluoro-4-hydroxy-benzonitrile

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

3,4,5-Trifluorobenzonitrile134227-45-562 % similar 4-Cyano-2-fluorophenol405-04-957 % similar 3,4-Difluorobenzonitrile64248-62-054 % similar Ioxynil1689-83-452 % similar Bromoxynil1689-84-552 % similar Chloroxynil1891-95-852 % similar 4-Hydroxy-3,5-dimethylbenzonitrile4198-90-752 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-650 % similar

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

Same formula

2,6-Difluoro-4-hydroxybenzonitrile123843-57-2 2,3-Difluoro-4-hydroxybenzonitrile126162-38-7 1,4-Difluoro-2-isocyanatobenzene39718-32-6 3,4-Difluorophenyl isocyanate42601-04-7 2,4-Difluorophenyl isocyanate59025-55-7 2,6-Difluorophenyl isocyanate65295-69-4

Elsewhere

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