3-Bromo-2-iodophenol

C₆H₄BrIOCAS 855836-52-1298.91 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄BrIO
Molar mass: 298.91 g/mol
Exact mass: 297.8490 Da
logP: 2.76Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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

855836-52-1

SMILES

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

InChIKey

WJJYPSTVJBRTGK-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrIO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H

Weigh it out

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

Work with 3-Bromo-2-iodophenol

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

1,3-Dibromo-2-iodobenzene19821-80-864 % similar 2-Bromophenol95-56-754 % similar 3-Bromobenzene-1,2-diol14381-51-254 % similar 3-Bromo-2-chlorophenol863870-87-552 % similar 2-Amino-3-bromophenol116435-77-950 % similar 3-Bromo-2-fluorophenol156682-53-050 % similar 1-Bromo-3-fluoro-2-iodobenzene450412-29-050 % similar 3-Bromo-2-methylphenol7766-23-650 % similar

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

Same formula

4-Bromo-2-iodophenol207115-22-8

Elsewhere

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