4-Bromo-2-(trifluoromethyl)benzaldehyde

C₈H₄BrF₃OCAS 861928-27-0253.02 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
Melting point: 48–50 °C
logP: 3.28Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

861928-27-0

SMILES

O=Cc1ccc(Br)cc1C(F)(F)F

InChIKey

PROPHDFGNNBHJX-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

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

Work with 4-Bromo-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

4-Bromo-2-fluorobenzaldehyde57848-46-158 % similar 4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-157 % similar 2-(Trifluoromethyl)benzaldehyde447-61-056 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-256 % similar 4-Bromo-2-hydroxybenzaldehyde22532-62-355 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-355 % similar 5-Bromosalicylaldehyde1761-61-153 % similar 4-Bromo-1-iodo-2-(trifluoromethyl)benzene364-12-553 % 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 2-Bromo-4-(trifluoromethyl)benzaldehyde85118-24-7

Elsewhere

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