chempirical

2-Bromo-5-methoxybenzaldehyde

C8H7BrO2CAS 7507-86-0215.05 g/mol

Open in Covalent MOL file
OBrO
AldehydeAryl halideEther

Properties

Molecular formula
C8H7BrO2
Molar mass
215.05 g/mol
Exact mass
213.9629 Da
logP
2.27Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
7507-86-0
SMILES
COC1=CC(=C(C=C1)Br)C=O
InChIKey
XNHKTMIWQCNZST-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-5H,1H3

Weigh it out

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Work with 2-Bromo-5-methoxybenzaldehyde

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-Bromo-4-methoxybenzaldehyde43192-31-075 % similar 2,5-Dimethoxybenzaldehyde93-02-771 % similar 2-Fluoro-5-methoxybenzaldehyde105728-90-360 % similar 2-Hydroxy-5-methoxybenzaldehyde672-13-960 % similar 6-Bromoveratraldehyde5392-10-959 % similar 2,4-Dimethoxybenzaldehyde613-45-659 % similar 4-Bromo-2,5-dimethoxybenzaldehyde31558-41-557 % similar 4-Methoxy-2-methylbenzaldehyde52289-54-057 % similar

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

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-1 2-Bromophenylacetic acid18698-97-0 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 2-Bromo-1-(2-hydroxyphenyl)ethanone2491-36-3 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-4 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5

Elsewhere

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