chempirical

2,6-Dichlorobenzeneacetonitrile

C8H5Cl2NCAS 3215-64-3186.03 g/mol

Open in Covalent MOL file
NClCl
Aryl halideNitrile

Properties

Molecular formula
C8H5Cl2N
Molar mass
186.03 g/mol
Exact mass
184.9799 Da
Melting point
75–76 °C
logP
3.06Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
3215-64-3
SMILES
N#CCc1c(Cl)cccc1Cl
InChIKey
AOEJUUCUKRUCEF-UHFFFAOYSA-N
InChI
InChI=1S/C8H5Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2

Weigh it out

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

Names and synonyms

6 names
  • Benzeneacetonitrile, 2,6-dichloro-
  • Acetonitrile, (2,6-dichlorophenyl)-
  • (2,6-Dichlorophenyl)acetonitrile
  • 2,6-Dichlorobenzyl cyanide
  • NSC 72901
  • 2-(2,6-Dichlorophenyl)acetonitrile

Work with 2,6-Dichlorobenzeneacetonitrile

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-Chloro-6-fluorobenzeneacetonitrile75279-55-971 % similar (2-Chlorophenyl)acetonitrile2856-63-565 % similar 1,3-Benzenediacetonitrile626-22-254 % similar 2,6-Difluorobenzeneacetonitrile654-01-354 % similar 3-Chloro-2,6-difluorobenzeneacetonitrile261762-55-452 % similar 3-Chlorobenzeneacetonitrile1529-41-550 % similar 1,2-Benzenediacetonitrile613-73-048 % similar 4-[(2-Chloro-6-fluorophenyl)methoxy]benzeneacetonitrile175135-35-048 % similar

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

Same formula

4,6-Dichloro-1H-indole101495-18-5 5,6-Dichloro-1H-indole121859-57-2 3,4-Dichlorobenzeneacetonitrile3218-49-3 2,4-Dichlorobenzeneacetonitrile6306-60-1

Elsewhere

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