chempirical

3-Bromo-5-methoxybenzaldehyde

C8H7BrO2CAS 262450-65-7215.05 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
45–46 °C
logP
2.27Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
262450-65-7
SMILES
COc1cc(Br)cc(C=O)c1
InChIKey
GCXBEEKTPWZHJN-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c1-11-8-3-6(5-10)2-7(9)4-8/h2-5H,1H3

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Names and synonyms

2 names
  • Benzaldehyde, 3-bromo-5-methoxy-
  • 5-Bromo-3-methoxybenzaldehyde

Work with 3-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

3,5-Dimethoxybenzaldehyde7311-34-471 % similar 5-Bromoisophthalaldehyde120173-41-361 % similar 3,5-Dibromobenzaldehyde56990-02-461 % similar 1,3-Dibromo-5-methoxybenzene74137-36-361 % similar 4-Anisaldehyde123-11-555 % similar 4-Bromo-3,5-dimethoxybenzaldehyde31558-40-453 % similar 4-Bromoanisole104-92-750 % similar 3-Bromo-5-chlorobenzaldehyde188813-05-050 % 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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