chempirical

3-Bromo-4-methoxybenzaldehyde

C8H7BrO2CAS 34841-06-0215.05 g/mol

Open in Covalent MOL file
OOBr
AldehydeAryl halideEther

Properties

Molecular formula
C8H7BrO2
Molar mass
215.05 g/mol
Exact mass
213.9629 Da
Melting point
43–44 °C
Boiling point
108–110 °C (at 1 Torr)
logP
2.27Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
34841-06-0
SMILES
COc1ccc(C=O)cc1Br
InChIKey
QMPNFQLVIGPNEI-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3

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Names and synonyms

4 names
  • p-Anisaldehyde, 3-bromo-
  • Benzaldehyde, 3-bromo-4-methoxy-
  • 3-Bromo-p-anisaldehyde
  • NSC 158162

Work with 3-Bromo-4-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

3-Bromo-4,5-dimethoxybenzaldehyde6948-30-763 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-462 % similar 3-Iodo-4-methoxybenzaldehyde2314-37-660 % similar 3-Fluoro-4-methoxybenzaldehyde351-54-260 % similar 3-Chloro-4-methoxybenzaldehyde4903-09-760 % similar Isovanillin621-59-060 % similar 5-Bromovanillin2973-76-459 % similar 3-Methoxy-4-methylbenzaldehyde24973-22-657 % 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 5-Bromo-2-methoxybenzaldehyde25016-01-7

Elsewhere

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