3-Bromo-2,6-difluorobenzaldehyde

C₇H₃BrF₂OCAS 398456-82-1221.00 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

398456-82-1

SMILES

O=Cc1c(F)ccc(Br)c1F

InChIKey

OXBHKEYDKAWFLS-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

Benzaldehyde, 3-bromo-2,6-difluoro-

Work with 3-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

2,3,6-Trifluorobenzaldehyde104451-70-968 % similar (2,4-Difluoro-3-formylphenyl)boronic acid870718-06-253 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-550 % similar 2,6-Difluorobenzaldehyde437-81-050 % similar 3-Bromo-4-fluorobenzaldehyde77771-02-950 % similar 2-Chloro-3,6-difluorobenzaldehyde261762-39-448 % similar 2,3,4-Trifluorobenzaldehyde161793-17-545 % similar 4-Bromo-2,3,5,6-tetrafluorobenzaldehyde108574-98-745 % similar

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

Same formula

4-Bromo-2,6-difluorobenzaldehyde537013-51-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook