chempirical

2-(2-Chlorophenoxy)acetonitrile

C8H6ClNOCAS 43111-31-5167.59 g/mol

Open in Covalent MOL file
ONCl
Aryl halideEtherNitrile

Properties

Molecular formula
C8H6ClNO
Molar mass
167.59 g/mol
Exact mass
167.0138 Da
logP
2.24Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
43111-31-5
SMILES
C1=CC=C(C(=C1)OCC#N)Cl
InChIKey
JWRJGSQLKHGQOT-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClNO/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,6H2

Weigh it out

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Names and synonyms

1 names
  • 2-Chlorophenoxyacetonitrile

Work with 2-(2-Chlorophenoxy)acetonitrile

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

2,4-Dichlorophenoxyacetonitrile3956-63-669 % similar 1-Chloro-2-ethoxybenzene614-72-255 % similar 2-(3-Chlorophenoxy)acetonitrile43111-32-653 % similar 2-(2-Chlorophenoxy)ethanol15480-00-952 % similar 2-(2-Chlorophenoxy)ethylamine26378-53-052 % similar Phenoxyacetonitrile3598-14-950 % similar 3,5-Dichlorophenoxyacetonitrile103140-12-148 % similar 2,6-Dichlorobenzeneacetonitrile3215-64-348 % similar

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

Same formula

3-Chloro-4-methoxybenzonitrile102151-33-7 5-Chlorooxindole17630-75-0 5-Chloro-2-methylbenzoxazole19219-99-9 4-Chloro-1,3-dihydro-2H-indol-2-one20870-77-3 3-Chloro-4-methylphenyl isocyanate28479-22-3 2-(4-Chlorophenoxy)acetonitrile3598-13-8 3-Chloro-2-methylphenyl isocyanate40397-90-8 2-Chloro-6-methylphenyl isocyanate40398-01-4

Elsewhere

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