4,4'-(1-Methylene) bis-benzonitrile

C₁₅H₁₀N₂CAS 10466-37-2218.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₀N₂
Molar mass: 218.26 g/mol
Exact mass: 218.0844 Da
logP: 3.02Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

10466-37-2

SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)C#N)C#N

InChIKey

QHPFUQAZWHBITN-UHFFFAOYSA-N

InChI

InChI=1S/C15H10N2/c16-10-14-5-1-12(2-6-14)9-13-3-7-15(11-17)8-4-13/h1-8H,9H2

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Names and synonyms

1 names

4,4'-Methylenebisbenzonitrile

Work with 4,4'-(1-Methylene) bis-benzonitrile

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

1,4-Dicyanobenzene623-26-767 % similar 4-Cyanobenzylamine10406-25-463 % similar 4-Cyanobenzyl bromide17201-43-363 % similar 4-Ethylbenzonitrile25309-65-363 % similar 4-Cyanobenzyl chloride874-86-263 % similar 4-Cyanophenylacetonitrile876-31-363 % similar 4-Butylbenzonitrile20651-73-458 % similar [1,1′-Biphenyl]-4,4′-dicarbonitrile1591-30-657 % similar

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

Same formula

5H-Dibenz[B,F]azepine-5-carbonitrile42787-75-7

Elsewhere

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