2-Bromo-5-(trifluoromethyl)benzaldehyde

C₈H₄BrF₃OCAS 102684-91-3253.02 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₄BrF₃O
Molar mass: 253.02 g/mol
Exact mass: 251.9398 Da
logP: 3.28Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

102684-91-3

SMILES

C1=CC(=C(C=C1C(F)(F)F)C=O)Br

InChIKey

CSOBJYGHQOLWOD-UHFFFAOYSA-N

InChI

InChI=1S/C8H4BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H

Weigh it out

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

Work with 2-Bromo-5-(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-Bromo-5-(1,1-dimethylethyl)benzaldehyde875664-28-165 % similar 2,5-Bis(trifluoromethyl)benzaldehyde395-64-264 % similar 2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-957 % similar 2-Bromo-5-fluorobenzaldehyde94569-84-356 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-355 % similar 2-Bromo-5-hydroxybenzaldehyde2973-80-051 % similar 2-Bromo-5-trifluoromethylaniline454-79-551 % similar 2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-451 % similar

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

Same formula

4′-Bromo-2,2,2-trifluoroacetophenone16184-89-7 2-Bromo-4-(trifluoromethyl)benzaldehyde85118-24-7 4-Bromo-2-(trifluoromethyl)benzaldehyde861928-27-0

Elsewhere

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