chempirical

2,3-Difluoro-4-hydroxybenzonitrile

C7H3F2NOCAS 126162-38-7155.10 g/mol

Open in Covalent MOL file
NFFOH
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

Identifiers

CAS number
126162-38-7
SMILES
C1=CC(=C(C(=C1C#N)F)F)O
InChIKey
UIJJJWADIVZXNT-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F2NO/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2,11H

Weigh it out

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

Work with 2,3-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

3,6-Dihydroxy-1,2-benzenedicarbonitrile4733-50-052 % similar 2,3-Difluoro-4-methoxybenzonitrile256417-12-650 % similar 2-Fluoro-4-hydroxybenzonitrile82380-18-550 % similar 2-Hydroxybenzonitrile611-20-148 % similar 2,3-Difluorobenzonitrile21524-39-047 % similar 4-Ethoxy-2,3-difluorobenzonitrile126162-96-746 % similar 3-Chloro-2-fluorobenzonitrile94087-40-845 % similar 4-Amino-2,3-difluorophenol163733-99-145 % similar

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

Same formula

2,6-Difluoro-4-hydroxybenzonitrile123843-57-2 1,4-Difluoro-2-isocyanatobenzene39718-32-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook