3,5-Dichlorophenoxyacetonitrile

C₈H₅Cl₂NOCAS 103140-12-1202.03 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₈H₅Cl₂NO
Molar mass: 202.03 g/mol
Exact mass: 200.9748 Da
logP: 2.90Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

103140-12-1

SMILES

C1=C(C=C(C=C1Cl)Cl)OCC#N

InChIKey

PNROREDTZJCOHF-UHFFFAOYSA-N

InChI

InChI=1S/C8H5Cl2NO/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5H,2H2

Weigh it out

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

Names and synonyms

1 names

2-(3,5-Dichlorophenoxy)acetonitrile

Work with 3,5-Dichlorophenoxyacetonitrile

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-(3-Chlorophenoxy)acetonitrile43111-32-670 % similar 2-(4-Methylphenoxy)acetonitrile33901-44-945 % similar 2-(4-Formylphenoxy)acetonitrile385383-45-942 % similar 1,3-Dichloro-5-methoxybenzene33719-74-340 % similar 3,5-Dichlorobenzonitrile6575-00-440 % similar 2-(4-Nitrophenoxy)acetonitrile33901-46-138 % similar 1,3,5-Trichlorobenzene108-70-338 % similar 3-Chlorobenzeneacetonitrile1529-41-537 % similar

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

Elsewhere

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