chempirical

2,6-Dibromo-1,5-naphthalenediol

C10H6Br2O2CAS 84-59-3317.96 g/mol

Open in Covalent MOL file
OHBrOHBr
Aryl halidePhenol

Properties

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

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

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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-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 1,8-Dibromopyrene38303-35-442 % similar 1,4-Dibromonaphthalene83-53-441 % similar

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

Elsewhere

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