chempirical

2-Cyanobenzaldehyde

C8H5NOCAS 7468-67-9131.13 g/mol

Open in Covalent MOL file
ON
AldehydeNitrile

Properties

Molecular formula
C8H5NO
Molar mass
131.13 g/mol
Exact mass
131.0371 Da
logP
1.37Crippen estimate
Polar surface area
40.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
7468-67-9
SMILES
C1=CC=C(C(=C1)C=O)C#N
InChIKey
QVTPWONEVZJCCS-UHFFFAOYSA-N
InChI
InChI=1S/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H

Weigh it out

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

Work with 2-Cyanobenzaldehyde

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

Phthalaldehyde643-79-857 % similar 2,2′-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]13001-39-355 % similar Phthalonitrile91-15-652 % similar (1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-550 % similar 2-[2-[4-[2-(4-Cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile13001-38-248 % similar 2-Bromobenzaldehyde6630-33-746 % similar 2-Iodobenzaldehyde26260-02-645 % similar 2-Fluorobenzaldehyde446-52-645 % similar

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

Same formula

4-Cyanobenzaldehyde105-07-7 3-Cyanobenzaldehyde24964-64-5 Benzoyl cyanide613-90-1

Elsewhere

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