3-Chloro-3-(4-chlorophenyl)acrylonitrile

C₉H₅Cl₂NCAS 78583-86-5198.05 g/mol

Open in Covalent MOL file

Alkene Aryl halide Nitrile Vinyl halide

Properties

Molecular formula: C₉H₅Cl₂N
Molar mass: 198.05 g/mol
Exact mass: 196.9799 Da
logP: 3.44Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1
Double bonds: ZE/Z, in SMILES order

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

78583-86-5

SMILES

C1=CC(=CC=C1/C(=C/C#N)/Cl)Cl

InChIKey

HAOPARUBVPVOCT-UITAMQMPSA-N

InChI

InChI=1S/C9H5Cl2N/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-5H/b9-5-

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Names and synonyms

1 names

(2Z)-3-Chloro-3-(4-chlorophenyl)prop-2-enenitrile

Work with 3-Chloro-3-(4-chlorophenyl)acrylonitrile

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

4,4′-Dichlorobenzil3457-46-343 % similar 1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione22711-23-542 % similar Dichlorodiphenyldichloroethylene72-55-942 % similar 4-Chlorobenzoyl chloride122-01-041 % similar 4-Chlorobenzoylacetonitrile4640-66-841 % similar 4,4'-Dichlorochalcone19672-59-439 % similar 4-Chlorobenzonitrile623-03-039 % similar 4,4′-Dichlorobenzophenone90-98-239 % similar

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

Same formula

2,6-Dichloroquinoline1810-72-6 4,8-Dichloroquinoline21617-12-9 4,5-Dichloroquinoline21617-18-5 4,6-Dichloroquinoline4203-18-3 2,8-Dichloroquinoline4470-83-1 2,5-Dichloroquinoline59412-12-3 1,6-Dichloro-isoquinoline630421-73-7 2,4-Dichloroquinoline703-61-7

Elsewhere

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