4-Bromo-2,6-difluorobenzaldehyde

C₇H₃BrF₂OCAS 537013-51-7221.00 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₃BrF₂O
Molar mass: 221.00 g/mol
Exact mass: 219.9335 Da
logP: 2.54Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

537013-51-7

SMILES

O=Cc1c(F)cc(Br)cc1F

InChIKey

CZGVAISJIQNQEJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF2O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H

Weigh it out

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

Names and synonyms

2 names

Benzaldehyde, 4-bromo-2,6-difluoro-
2,6-Difluoro-4-bromobenzaldehyde

Work with 4-Bromo-2,6-difluorobenzaldehyde

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-fluorobenzaldehyde57848-46-157 % similar 2,6-Difluorobenzaldehyde437-81-052 % similar 5-Bromo-2-fluorobenzaldehyde93777-26-552 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-250 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-950 % similar 5-Bromoisophthalaldehyde120173-41-348 % similar 3,5-Dibromobenzaldehyde56990-02-448 % similar 4-Bromo-2,6-difluorophenol104197-13-946 % similar

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

Same formula

3-Bromo-2,6-difluorobenzaldehyde398456-82-1

Elsewhere

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