4-Chloro-3-(trifluoromethyl)benzaldehyde

C₈H₄ClF₃OCAS 34328-46-6208.56 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₄ClF₃O
Molar mass: 208.56 g/mol
Exact mass: 207.9903 Da
logP: 3.17Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

34328-46-6

SMILES

O=Cc1ccc(Cl)c(C(F)(F)F)c1

InChIKey

NIHMMULLFBKTOK-UHFFFAOYSA-N

InChI

InChI=1S/C8H4ClF3O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H

Weigh it out

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

Names and synonyms

3 names

Benzaldehyde, 4-chloro-3-(trifluoromethyl)-
m-Tolualdehyde, 4-chloro-α,α,α-trifluoro-
3-Trifluoromethyl-4-chlorobenzaldehyde

Work with 4-Chloro-3-(trifluoromethyl)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

4-Fluoro-3-(trifluoromethyl)benzaldehyde67515-60-062 % similar 3,4-Dichlorobenzaldehyde6287-38-358 % similar 4-Chloro-3-fluorobenzaldehyde5527-95-756 % similar 4-Methoxy-3-(trifluoromethyl)benzaldehyde50823-87-555 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-355 % similar 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-353 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-451 % similar 3-Chloro-4-fluorobenzaldehyde34328-61-551 % similar

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

Same formula

3-(Trifluoromethyl)benzoyl chloride2251-65-2 2-(Trifluoromethyl)benzoyl chloride312-94-7 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-9 4-(Trifluoromethyl)benzoyl chloride329-15-7

Elsewhere

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