chempirical

5-Chloro-2-(trifluoromethyl)benzaldehyde

C8H4ClF3OCAS 90381-07-0208.56 g/mol

Open in Covalent MOL file
ClOFFF
AldehydeAlkyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 1
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
90381-07-0
SMILES
C1=CC(=C(C=C1Cl)C=O)C(F)(F)F
InChIKey
CVRLMVFONQYBOC-UHFFFAOYSA-N
InChI
InChI=1S/C8H4ClF3O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-4H

Weigh it out

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Work with 5-Chloro-2-(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

2,5-Bis(trifluoromethyl)benzaldehyde395-64-264 % similar 5-Fluoro-2-(trifluoromethyl)benzaldehyde90381-08-162 % similar 2,4-Dichlorobenzotrifluoride320-60-555 % similar 2-(Trifluoromethyl)benzaldehyde447-61-055 % similar 2,5-Dichlorobenzaldehyde6361-23-555 % similar 2-Bromo-5-chlorobenzaldehyde174265-12-451 % similar 2-Amino-5-chlorobenzaldehyde20028-53-951 % similar 4-Chloro-2-fluorobenzaldehyde61072-56-851 % 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 4-Chloro-2-(trifluoromethyl)benzaldehyde320-43-4 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-9 4-(Trifluoromethyl)benzoyl chloride329-15-7 4-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-6 2-Chloro-4-(trifluoromethyl)benzaldehyde82096-91-1 2-Chloro-5-(trifluoromethyl)benzaldehyde82386-89-8

Elsewhere

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