4-Bromo-3-chlorobenzaldehyde

C₇H₄BrClOCAS 120077-69-2219.46 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: 52 °C
logP: 2.92Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

120077-69-2

SMILES

O=Cc1ccc(Br)c(Cl)c1

InChIKey

LDYVDYZLCRUOTM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Benzaldehyde, 4-bromo-3-chloro-

Work with 4-Bromo-3-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

3,4-Dichlorobenzaldehyde6287-38-364 % similar 3-Chloro-4-hydroxybenzaldehyde2420-16-861 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-556 % similar 3-Chloro-4-fluorobenzaldehyde34328-61-556 % similar 3-Bromo-4-hydroxybenzaldehyde2973-78-652 % similar 4-Chloro-3-fluorobenzaldehyde5527-95-752 % similar 3-Bromo-4-fluorobenzaldehyde77771-02-952 % similar 3-Chloro-4-methoxybenzaldehyde4903-09-751 % similar

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

Same formula

4-Bromo-2-chlorobenzaldehyde158435-41-7 3-Bromobenzoyl chloride1711-09-7 3-Bromo-5-chlorobenzaldehyde188813-05-0 5-Bromo-2-chlorobenzaldehyde189628-37-3 4-Bromobenzoyl chloride586-75-4 2-Bromobenzoyl chloride7154-66-7

Elsewhere

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