1-(4-Chlorophenyl)cyclobutanecarbonitrile

C₁₁H₁₀ClNCAS 28049-61-8191.66 g/mol

Open in Covalent MOL file

Halogen Nitrile

Properties

Molecular formula: C₁₁H₁₀ClN
Molar mass: 191.66 g/mol
Exact mass: 191.0502 Da
Boiling point: 110–112 °C (at 0.5 Torr)
logP: 3.29Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

28049-61-8

SMILES

N#CC1(c2ccc(Cl)cc2)CCC1

InChIKey

XQONXPWVIZZJIL-UHFFFAOYSA-N

InChI

InChI=1S/C11H10ClN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-7H2

Weigh it out

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

Names and synonyms

6 names

Cyclobutanecarbonitrile, 1-(4-chlorophenyl)-
Cyclobutanecarbonitrile, 1-(p-chlorophenyl)-
1-(p-Chlorophenyl)cyclobutanecarbonitrile
NSC 154613
1-(4-Chlorophenyl)cyclobutane-1-carbonitrile
1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile

Work with 1-(4-Chlorophenyl)cyclobutanecarbonitrile

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

Elsewhere

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