2-(3-Chlorophenoxy)acetonitrile

C₈H₆ClNOCAS 43111-32-6167.59 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₈H₆ClNO
Molar mass: 167.59 g/mol
Exact mass: 167.0138 Da
Boiling point: 89 °C (at 0.2 Torr)
logP: 2.24Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

43111-32-6

SMILES

N#CCOc1cccc(Cl)c1

InChIKey

NHHNUPMHGVIQQC-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClNO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,5H2

Weigh it out

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

Names and synonyms

5 names

Acetonitrile, 2-(3-chlorophenoxy)-
Acetonitrile, (3-chlorophenoxy)-
Acetonitrile, (m-chlorophenoxy)-
3-Chlorophenoxyacetonitrile
(m-Chlorophenoxy)acetonitrile

Work with 2-(3-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

3,5-Dichlorophenoxyacetonitrile103140-12-170 % similar 3-Chlorobenzeneacetonitrile1529-41-550 % similar 3-Chlorophenoxyacetic acid588-32-946 % similar 2-(4-Methylphenoxy)acetonitrile33901-44-946 % similar 3-Chloroanisole2845-89-845 % similar 3,4′-Dichlorodiphenyl ether6842-62-244 % similar 3-(Phenylmethoxy)benzeneacetonitrile20967-96-844 % similar 2-(4-Formylphenoxy)acetonitrile385383-45-942 % 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 3-Chloro-4-methylphenyl isocyanate28479-22-3 5-Chloro-2-methoxybenzonitrile55877-79-7 6-Chlorooxindole56341-37-8

Elsewhere

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