5-Bromo-2-iodobenzoic acid

C₇H₄BrIO₂CAS 21740-00-1326.92 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

21740-00-1

SMILES

C1=CC(=C(C=C1Br)C(=O)O)I

InChIKey

IGBNDUKRHPTOBP-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 5-Bromo-2-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

4-Bromophthalic acid6968-28-168 % similar 5-Bromo-2-methylbenzoic acid79669-49-165 % similar 2,5-Diiodobenzoic acid14192-12-264 % similar 2,5-Dibromobenzoic acid610-71-964 % similar 2-Amino-4-bromobenzoic acid20776-50-562 % similar 5-Bromosalicylic acid89-55-462 % similar 5-Chloro-2-iodobenzoic acid13421-00-660 % similar 5-Bromo-2-fluorobenzoic acid146328-85-060 % 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 2-Bromo-5-iodobenzoic acid25252-00-0

Elsewhere

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