3-Bromo-4-chloro-benzaldehyde

C₇H₄BrClOCAS 86265-88-5219.46 g/mol

Open in Covalent MOL file

Aldehyde Aryl 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 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

86265-88-5

SMILES

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

InChIKey

AKDABJGHOOCVKX-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrClO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H

Weigh it out

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

Names and synonyms

1 names

3-Bromo-4-chlorobenzaldehyde

Work with 3-Bromo-4-chloro-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

3,4-Dichlorobenzaldehyde6287-38-364 % similar 3,4-Dibromobenzaldehyde74003-55-764 % similar 3-Chloro-4-hydroxybenzaldehyde2420-16-856 % similar 3-Bromo-4-hydroxybenzaldehyde2973-78-656 % similar 3-Bromo-4-methyl benzaldehyde36276-24-156 % similar 4-Chloro-3-fluorobenzaldehyde5527-95-756 % similar 3-Bromo-4-fluorobenzaldehyde77771-02-956 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-552 % 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 3-Bromo-5-chlorobenzaldehyde188813-05-0 5-Bromo-2-chlorobenzaldehyde189628-37-3 4-Bromobenzoyl chloride586-75-4 2-Bromo-6-chlorobenzaldehyde64622-16-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook