2,3,5-Trichlorobenzaldehyde

C₇H₃Cl₃OCAS 56961-75-2209.45 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₃Cl₃O
Molar mass: 209.45 g/mol
Exact mass: 207.9249 Da
Melting point: 56 °C
logP: 3.46Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

56961-75-2

SMILES

O=Cc1cc(Cl)cc(Cl)c1Cl

InChIKey

DJYRZTCLVDKWBL-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H

Weigh it out

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

Names and synonyms

1 names

Benzaldehyde, 2,3,5-trichloro-

Work with 2,3,5-Trichlorobenzaldehyde

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

3,5-Dichlorosalicylaldehyde90-60-861 % similar 2,3-Dichlorobenzaldehyde6334-18-559 % similar 2,5-Dichlorobenzaldehyde6361-23-557 % similar 2,4-Dichlorobenzaldehyde874-42-057 % similar 1,2,3,5-Tetrachlorobenzene634-90-256 % similar 2-Chlorobenzaldehyde89-98-547 % similar 3-Chloro-2-fluorobenzaldehyde85070-48-045 % similar 1-Bromo-2,3,5-trichlorobenzene81067-38-145 % similar

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

Same formula

2,3-Dichlorobenzoyl chloride2905-60-4 2,5-Dichlorobenzoyl chloride2905-61-5 3,5-Dichlorobenzoyl chloride2905-62-6 3,4-Dichlorobenzoyl chloride3024-72-4 2,6-Dichlorobenzoyl chloride4659-45-4 2,3,6-Trichlorobenzaldehyde4659-47-6 2,4-Dichlorobenzoyl chloride89-75-8

Elsewhere

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