4-Bromo-2,3-difluorobenzaldehyde

C₇H₃BrF₂OCAS 644985-24-0221.00 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

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

644985-24-0

SMILES

C1=CC(=C(C(=C1C=O)F)F)Br

InChIKey

IMOLPSNRLZLWQR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2,3-Difluoro-4-bromobenzaldehyde

Work with 4-Bromo-2,3-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

2,3,4-Trifluorobenzaldehyde161793-17-559 % similar 1,4-Dibromo-2,3-difluorobenzene156682-52-958 % similar 2,3-Difluoro-4-hydroxybenzaldehyde676500-39-357 % similar 2,3-Difluoro-4-methylbenzaldehyde245536-50-955 % similar 2-Bromo-4-fluorobenzaldehyde59142-68-653 % similar 2-Bromo-5-fluorobenzaldehyde94569-84-353 % similar 4-Bromo-2,3-difluorophenol144292-32-050 % similar 2-Bromo-4-hydroxybenzaldehyde22532-60-148 % similar

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

Same formula

4-Bromo-2,5-difluorobenzaldehyde357405-75-5 6-Bromo-2,3-difluorobenzaldehyde360576-04-1 3-Bromo-2,6-difluorobenzaldehyde398456-82-1 2-Bromo-4,5-difluorobenzaldehyde476620-54-9 4-Bromo-2,6-difluorobenzaldehyde537013-51-7 5-Bromo-2,3-difluoro-benzaldehyde633327-22-7

Elsewhere

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