2,3-Dichlorobenzonitrile

C₇H₃Cl₂NCAS 6574-97-6172.01 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃Cl₂N
Molar mass: 172.01 g/mol
Exact mass: 170.9643 Da
logP: 2.87Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

6574-97-6

SMILES

N#Cc1cccc(Cl)c1Cl

InChIKey

OHDYZVVLNPXKDX-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H

Weigh it out

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

Names and synonyms

2 names

Benzonitrile, 2,3-dichloro-
2,3-Dichlorophenyl cyanide

Work with 2,3-Dichlorobenzonitrile

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-Chlorobenzonitrile873-32-571 % similar 2-Amino-3-chlorobenzonitrile53312-77-959 % similar 2-Chloro-3-fluorobenzonitrile874781-08-559 % similar 3-Chloro-2-fluorobenzonitrile94087-40-859 % similar 2-(Bromomethyl)-3-chlorobenzonitrile77533-18-753 % similar 1,2,3-Trichlorobenzene87-61-652 % similar Phthalonitrile91-15-652 % similar 2,3-Dichloro-α-oxobenzeneacetonitrile77668-42-947 % similar

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

Same formula

2,6-Dichlorobenzonitrile1194-65-6 2,5-Dichlorobenzonitrile21663-61-6 2,4-Dichlorobenzonitrile6574-98-7 3,4-Dichlorobenzonitrile6574-99-8 3,5-Dichlorobenzonitrile6575-00-4

Elsewhere

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