3-Bromo-5-(trifluoromethoxy)benzaldehyde

C₈H₄BrF₃O₂CAS 886498-07-3269.02 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₈H₄BrF₃O₂
Molar mass: 269.02 g/mol
Exact mass: 267.9347 Da
logP: 3.16Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

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

886498-07-3

SMILES

C1=C(C=C(C=C1OC(F)(F)F)Br)C=O

InChIKey

ALIVUZVZCLVJQN-UHFFFAOYSA-N

InChI

InChI=1S/C8H4BrF3O2/c9-6-1-5(4-13)2-7(3-6)14-8(10,11)12/h1-4H

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Work with 3-Bromo-5-(trifluoromethoxy)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

1,3-Dibromo-5-(trifluoromethoxy)benzene207226-31-165 % similar 3-Bromo-5-methoxybenzaldehyde262450-65-758 % similar 3-(Trifluoromethoxy)benzaldehyde50823-91-157 % similar 3-(Trifluoromethoxy)benzaldehyde52771-21-857 % similar 5-Bromoisophthalaldehyde120173-41-355 % similar 3,5-Dibromobenzaldehyde56990-02-455 % similar 4-(Trifluoromethoxy)benzaldehyde659-28-954 % similar 3-Bromo-5-(trifluoromethyl)benzaldehyde477535-41-454 % similar

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

Same formula

2-Bromo-5-(trifluoromethyl)benzoic acid1483-56-3 4-Bromo-3-(trifluoromethyl)benzoic acid161622-14-6 2-Bromo-3-(trifluoromethyl)benzoic acid177420-63-2 4-Bromo-2-(trifluoromethoxy)benzaldehyde220996-80-5 4-Bromo-2-(trifluoromethyl) benzoic acid320-31-0 3-Bromo-5-(trifluoromethyl)benzoic acid328-67-6 2-Bromo-4-(trifluoromethyl)benzoic acid328-89-2 3-Bromo-4-(trifluoromethyl)benzoic acid581813-17-4

Elsewhere

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