2,6-Dibromo-1,5-naphthalenediol

C₁₀H₆Br₂O₂CAS 84-59-3317.96 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₁₀H₆Br₂O₂
Molar mass: 317.96 g/mol
Exact mass: 315.8735 Da
logP: 3.78Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

84-59-3

SMILES

Oc1c(Br)ccc2c(O)c(Br)ccc12

InChIKey

GHJUWGHWJYULLK-UHFFFAOYSA-N

InChI

InChI=1S/C10H6Br2O2/c11-7-3-1-5-6(10(7)14)2-4-8(12)9(5)13/h1-4,13-14H

Weigh it out

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

Names and synonyms

4 names

1,5-Naphthalenediol, 2,6-dibromo-
2,6-Dibromo-1,5-dihydroxynaphthalene
1,5-Dihydroxy-2,6-dibromonaphthalene
NSC 62684

Work with 2,6-Dibromo-1,5-naphthalenediol

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

2,6-Dibromophenol608-33-360 % similar 2-Bromo-1-naphthol771-15-360 % similar 3-Bromobenzene-1,2-diol14381-51-250 % similar 2-Bromo-6-methylphenol13319-71-646 % similar 2-Bromo-6-fluorophenol2040-89-346 % similar 2-Amino-6-bromophenol28165-50-646 % similar 2,4,6-Tribromophenol118-79-642 % similar 2,4,6-Tribromoresorcinol2437-49-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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