3,4-Dibromobenzaldehyde

C₇H₄Br₂OCAS 74003-55-7263.92 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₄Br₂O
Molar mass: 263.92 g/mol
Exact mass: 261.8629 Da
logP: 3.02Crippen 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

74003-55-7

SMILES

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

InChIKey

UTYRZXNEFUYFCJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Br2O/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.

Work with 3,4-Dibromobenzaldehyde

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

4-Bromo-3-chlorobenzaldehyde120077-69-264 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-564 % similar 4-Bromo-3-hydroxybenzaldehyde20035-32-964 % similar 3-Bromo-4-hydroxybenzaldehyde2973-78-664 % similar 3-Bromo-4-methyl benzaldehyde36276-24-164 % similar 3-Bromo-4-fluorobenzaldehyde77771-02-964 % similar 3-Bromo-4-chloro-benzaldehyde86265-88-564 % similar 3-Bromo-4-methoxybenzaldehyde34841-06-058 % similar

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

Same formula

3,5-Dibromobenzaldehyde56990-02-4 2,6-Dibromobenzaldehyde67713-23-9 2,5-Dibromobenzaldehyde74553-29-0

Elsewhere

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