1,4-Dihydroxy-2,5-diiodobenzene

C₆H₄I₂O₂CAS 13064-64-7361.90 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄I₂O₂
Molar mass: 361.90 g/mol
Exact mass: 361.8301 Da
logP: 2.31Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
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

13064-64-7

SMILES

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

InChIKey

XDLGDTUOWIFMQC-UHFFFAOYSA-N

InChI

InChI=1S/C6H4I2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H

Weigh it out

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Names and synonyms

1 names

2,5-Diiodobenzene-1,4-diol

Work with 1,4-Dihydroxy-2,5-diiodobenzene

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-Iodo-4-methylphenol16188-57-150 % similar 4-Bromo-2-iodophenol207115-22-850 % similar 4-Chloro-2-iodophenol71643-66-850 % similar 4-Iodo-2,5-dimethylphenol114971-53-848 % similar 2-Iodophenol533-58-448 % similar 3-Hydroxy-4-iodobenzaldehyde135242-71-644 % similar 4-Hydroxy-3-iodobenzaldehyde60032-63-544 % similar 3-Hydroxy-4-iodobenzoic acid58123-77-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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