2-Bromo-5-iodobenzoic acid

C₇H₄BrIO₂CAS 25252-00-0326.92 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄BrIO₂
Molar mass: 326.92 g/mol
Exact mass: 325.8439 Da
logP: 2.75Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

25252-00-0

SMILES

C1=CC(=C(C=C1I)C(=O)O)Br

InChIKey

QPKKBDSNZFSSOD-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)

Weigh it out

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Work with 2-Bromo-5-iodobenzoic acid

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-Diiodobenzoic acid14192-12-264 % similar 2,5-Dibromobenzoic acid610-71-964 % similar 4-Bromo-1,3-benzenedicarboxylic acid6939-93-164 % similar 5-Iodosalicylic acid119-30-262 % similar 5-Iodo-2-methylbenzoic acid54811-38-062 % similar 2-Bromo-5-hydroxybenzoic acid58380-11-362 % similar 2-Fluoro-5-iodobenzoic acid124700-41-060 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-360 % similar

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

Same formula

4-Bromo-2-iodobenzoic acid1133123-02-0 3-Bromo-5-iodobenzoic acid188815-32-9 5-Bromo-2-iodobenzoic acid21740-00-1

Elsewhere

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