4-Bromo-2-iodophenol

C₆H₄BrIOCAS 207115-22-8298.91 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

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

207115-22-8

SMILES

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

InChIKey

UXIULWIJWDJDQD-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 4-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

4-Bromocatechol17345-77-660 % similar 4,4'-Dibromo-2,2'-diiodobiphenyl852138-89-758 % similar 4-Bromo-2-methylphenol2362-12-157 % similar 2,4-Dibromophenol615-58-756 % similar 4-Bromo-2-chlorophenol3964-56-554 % similar 3-Iodo-4-fluorobromobenzene116272-41-452 % similar 2-Iodo-4-methylphenol16188-57-152 % similar 4-Bromo-2-fluorophenol2105-94-452 % similar

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

Same formula

3-Bromo-2-iodophenol855836-52-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook