2-Bromo-4-(trifluoromethyl)benzaldehyde

C₈H₄BrF₃OCAS 85118-24-7253.02 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

85118-24-7

SMILES

O=Cc1ccc(C(F)(F)F)cc1Br

InChIKey

CUKSTNNYAHZPRM-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

Benzaldehyde, 2-bromo-4-(trifluoromethyl)-

Work with 2-Bromo-4-(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-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-962 % similar 2,5-Bis(trifluoromethyl)benzaldehyde395-64-259 % similar 2-Bromo-4-fluorobenzaldehyde59142-68-656 % similar 2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-455 % similar 2-Nitro-4-(trifluoromethyl)benzaldehyde109466-87-753 % similar 2-Bromo-4-hydroxybenzaldehyde22532-60-151 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-451 % similar 2-Bromo-4-trifluoromethylaniline57946-63-151 % similar

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

Same formula

2-Bromo-5-(trifluoromethyl)benzaldehyde102684-91-3 4′-Bromo-2,2,2-trifluoroacetophenone16184-89-7 4-Bromo-2-(trifluoromethyl)benzaldehyde861928-27-0

Elsewhere

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