5-Bromo-2-chlorobenzaldehyde

C₇H₄BrClOCAS 189628-37-3219.46 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
Melting point: 43–46 °C
logP: 2.92Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

189628-37-3

SMILES

O=Cc1cc(Br)ccc1Cl

InChIKey

DPKKRQAEYWOISP-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

Benzaldehyde, 5-bromo-2-chloro-

Work with 5-Bromo-2-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

2,5-Dichlorobenzaldehyde6361-23-560 % similar 5-Bromosalicylaldehyde1761-61-156 % similar 2-Amino-5-bromobenzaldehyde29124-57-056 % similar 5-Bromo-2-fluorobenzaldehyde93777-26-556 % similar 2-Chlorobenzaldehyde89-98-555 % similar 4-Bromo-1,2-dichlorobenzene18282-59-254 % similar 4-Bromo-2-hydroxybenzaldehyde22532-62-353 % similar 5-Bromo-2-methoxybenzaldehyde25016-01-753 % similar

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

Same formula

4-Bromo-3-chlorobenzaldehyde120077-69-2 3-Bromobenzoyl chloride1711-09-7 3-Bromo-5-chlorobenzaldehyde188813-05-0 4-Bromobenzoyl chloride586-75-4 2-Bromobenzoyl chloride7154-66-7

Elsewhere

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