4-(3,4-Dichlorophenyl)benzaldehyde

C₁₃H₈Cl₂OCAS 50670-78-5251.11 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₃H₈Cl₂O
Molar mass: 251.11 g/mol
Exact mass: 249.9952 Da
logP: 4.47Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

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

50670-78-5

SMILES

C1=CC(=CC=C1C=O)C2=CC(=C(C=C2)Cl)Cl

InChIKey

OMFFUMDRNYYSFR-UHFFFAOYSA-N

InChI

InChI=1S/C13H8Cl2O/c14-12-6-5-11(7-13(12)15)10-3-1-9(8-16)2-4-10/h1-8H

Weigh it out

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Work with 4-(3,4-Dichlorophenyl)benzaldehyde

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

3,4-Dichlorobenzaldehyde6287-38-370 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-860 % similar 3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde400744-49-259 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-259 % similar 3'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde400750-63-255 % similar 4-(3-Methylphenyl)benzaldehyde400744-83-453 % similar 3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-453 % similar 4-[(3,4-Dichlorobenzyl)oxy]benzaldehyde66742-56-153 % similar

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

Same formula

2,5-Dichlorobenzophenone16611-67-9 2,4-Dichlorobenzophenone19811-05-3 3′,5′-Dichloro[1,1′-biphenyl]-4-carboxaldehyde221018-04-8 3,4-Dichlorobenzophenone6284-79-3 2,4′-Dichlorobenzophenone85-29-0 4,4′-Dichlorobenzophenone90-98-2

Elsewhere

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