3′,5′-Dichloro[1,1′-biphenyl]-4-carboxaldehyde

C₁₃H₈Cl₂OCAS 221018-04-8251.11 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

Identifiers

CAS number

221018-04-8

SMILES

O=Cc1ccc(-c2cc(Cl)cc(Cl)c2)cc1

InChIKey

YEFGGURFOJFIMZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

[1,1′-Biphenyl]-4-carboxaldehyde, 3′,5′-dichloro-
3′,5′-Dichloro-1,1′-biphenyl-4-carboxaldehyde
3′,5′-Dichloro-4-formylbiphenyl
3′,5′-Dichlorobiphenyl-4-carboxaldehyde

Work with 3′,5′-Dichloro[1,1′-biphenyl]-4-carboxaldehyde

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

1,3,5-Tris(4-formylphenyl)benzene118688-53-268 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-863 % similar 3,5-Dichlorobenzaldehyde10203-08-462 % similar 4-Chlorobenzaldehyde104-88-162 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-854 % similar 4,4′,4′′-(1,3,5-Triazine-2,4,6-triyl)tris[benzaldehyde]443922-06-347 % similar 3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-446 % similar 3-Bromo-5-chlorobenzaldehyde188813-05-045 % 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 3,4-Dichlorobenzophenone6284-79-3 2,4′-Dichlorobenzophenone85-29-0 4,4'-Dichlorobenzophenone90-98-2

Elsewhere

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