chempirical

5-Bromo-2-methoxybenzaldehyde

C8H7BrO2CAS 25016-01-7215.05 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
Melting point
114.5 °C
logP
2.27Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
25016-01-7
SMILES
COc1ccc(Br)cc1C=O
InChIKey
IJIBRSFAXRFPPN-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3

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

Names and synonyms

7 names
  • Benzaldehyde, 5-bromo-2-methoxy-
  • o-Anisaldehyde, 5-bromo-
  • 2-Methoxy-5-bromobenzaldehyde
  • 5-Bromo-o-anisaldehyde
  • 5-Bromo-2-anisaldehyde
  • 3-Bromo-6-methoxybenzaldehyde
  • NSC 41186

Work with 5-Bromo-2-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

2,5-Dimethoxybenzaldehyde93-02-768 % similar 5-Bromo-2-ethoxybenzaldehyde79636-94-566 % similar 5-Fluoro-2-methoxybenzaldehyde19415-51-162 % similar 5-Chloro-2-methoxybenzaldehyde7035-09-862 % similar Bromoveratrole2859-78-160 % similar 2,4,5-Trimethoxybenzaldehyde4460-86-058 % similar 2-Amino-5-bromobenzaldehyde29124-57-058 % similar (3-Formyl-4-methoxyphenyl)boronic acid121124-97-857 % similar

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

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 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 3-Bromo-5-methoxybenzaldehyde262450-65-7

Elsewhere

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