chempirical

5-Bromosalicylaldehyde

C7H5BrO2CAS 17691-61-1201.02 g/mol

Open in Covalent MOL file
BrOOH
AldehydeAryl halidePhenol

Properties

Molecular formula
C7H5BrO2
Molar mass
201.02 g/mol
Exact mass
199.9473 Da
logP
1.97Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
17691-61-1
SMILES
C1=CC(=C(C=C1Br)C=O)O
InChIKey
MKKSTJKBKNCMRV-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H

Weigh it out

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

Work with 5-Bromosalicylaldehyde

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-Dihydroxybenzaldehyde1194-98-566 % similar 5-Iodosalicylaldehyde1761-62-256 % similar 5-Bromo-2-chlorobenzaldehyde189628-37-356 % similar 2-Amino-5-bromobenzaldehyde29124-57-056 % similar 4-Bromo-2-fluorobenzaldehyde57848-46-156 % similar 5-Chlorosalicylaldehyde635-93-856 % similar 5-Bromo-2-fluorobenzaldehyde93777-26-556 % similar 4-Bromocatechol17345-77-654 % similar

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

Same formula

5-Bromosalicylaldehyde1761-61-1 3-Bromo-2-hydroxybenzaldehyde1829-34-1 4-Bromo-3-hydroxybenzaldehyde20035-32-9 2-Bromo-4-hydroxybenzaldehyde22532-60-1 2-Bromo-6-hydroxybenzaldehyde22532-61-2 4-Bromo-2-hydroxybenzaldehyde22532-62-3 5-Bromo-1,3-benzodioxole2635-13-4 3-Bromo-4-hydroxybenzaldehyde2973-78-6

Elsewhere

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