chempirical

2,3-Dicyanonaphthalene

C12H6N2CAS 22856-30-0178.19 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C12H6N2
Molar mass
178.19 g/mol
Exact mass
178.0531 Da
logP
2.58Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
22856-30-0
SMILES
C1=CC=C2C=C(C(=CC2=C1)C#N)C#N
InChIKey
KNBYJRSSFXTESR-UHFFFAOYSA-N
InChI
InChI=1S/C12H6N2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-6H

Weigh it out

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

Work with 2,3-Dicyanonaphthalene

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

1,2,4,5-Benzenetetracarbonitrile712-74-361 % similar Phthalonitrile91-15-658 % similar 2-Naphthalenecarbonitrile613-46-754 % similar 6-(1,1-Dimethylethyl)-2,3-naphthalenedicarbonitrile32703-82-552 % similar 3-Cyanocoumarin15119-34-350 % similar 2-Chlorobenzonitrile873-32-550 % similar 4,5-Diamino-1,2-benzenedicarbonitrile129365-93-148 % similar Pentacene135-48-847 % similar

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

Elsewhere

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