3-Bromo-5-chlorobenzaldehyde

C7H4BrClOCAS 188813-05-0219.46 g/mol

Open in Covalent MOL file
OClBr
AldehydeAryl halide

Properties

Molecular formula
C7H4BrClO
Molar mass
219.46 g/mol
Exact mass
217.9134 Da
logP
2.92Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
188813-05-0
SMILES
O=Cc1cc(Cl)cc(Br)c1
InChIKey
JGMGDYUVFBBCEQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrClO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H

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Names and synonyms

2 names
  • Benzaldehyde, 3-bromo-5-chloro-
  • 5-Bromo-3-chlorobenzaldehyde

Work with 3-Bromo-5-chlorobenzaldehyde

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

3,5-Dichlorobenzaldehyde10203-08-468 % similar 5-Bromoisophthalaldehyde120173-41-368 % similar 3,5-Dibromobenzaldehyde56990-02-468 % similar 1,3-Dibromo-5-chlorobenzene14862-52-356 % similar Bromo-3,5-dichlorobenzene19752-55-756 % similar 3-Bromo-5-fluorobenzaldehyde188813-02-755 % similar 3-Chloro-5-fluorobenzaldehyde90390-49-155 % similar 3-Bromobenzaldehyde3132-99-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-3-chlorobenzaldehyde120077-69-2 4-Bromo-2-chlorobenzaldehyde158435-41-7 3-Bromobenzoyl chloride1711-09-7 2-Bromo-5-chlorobenzaldehyde174265-12-4 5-Bromo-2-chlorobenzaldehyde189628-37-3 4-Bromobenzoyl chloride586-75-4 2-Bromo-6-chlorobenzaldehyde64622-16-8 2-Bromobenzoyl chloride7154-66-7

Elsewhere

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