chempirical

4-Bromo-2-methoxybenzaldehyde

C8H7BrO2CAS 43192-33-2215.05 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

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
43192-33-2
SMILES
COC1=C(C=CC(=C1)Br)C=O
InChIKey
YMXQYZABFWVXEK-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3

Weigh it out

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Work with 4-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

5-Bromo-2-methoxybenzaldehyde25016-01-777 % similar 3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-dicarbaldehyde27343-98-266 % similar 4-Hydroxy-2-methoxybenzaldehyde18278-34-765 % similar 2,4-Dimethoxybenzaldehyde613-45-664 % similar 4-Bromo-2-methylbenzaldehyde24078-12-461 % similar 4-Fluoro-2-methoxybenzaldehyde450-83-960 % similar 2,5-Dimethoxyterephthalaldehyde7310-97-660 % similar 4-Bromo-2-(trifluoromethoxy)benzaldehyde220996-80-559 % 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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