chempirical

2,4,6-Tribromoresorcinol

C6H3Br3O2CAS 2437-49-2346.80 g/mol

Open in Covalent MOL file
HOBrBrOHBr
Aryl halidePhenol

Properties

Molecular formula
C6H3Br3O2
Molar mass
346.80 g/mol
Exact mass
343.7683 Da
Melting point
114–116 °C
logP
3.39Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
2437-49-2
SMILES
Oc1c(Br)cc(Br)c(O)c1Br
InChIKey
YADZSMVDNYXOOB-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Br3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H

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Names and synonyms

7 names
  • 1,3-Benzenediol, 2,4,6-tribromo-
  • Resorcinol, 2,4,6-tribromo-
  • 2,4,6-Tribromo-1,3-benzenediol
  • 2,4,6-Tribromo-3-hydroxyphenol
  • 1,3,5-Tribromo-2,4-dihydroxybenzene
  • NSC 10857
  • 1,3,5-Tribromo-2,6-dihydroxybenzene

Work with 2,4,6-Tribromoresorcinol

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

2,4,6-Tribromo-3-methylphenol4619-74-367 % similar 2,4,6-Tribromo-3-hydroxybenzaldehyde2737-22-659 % similar 4-Amino-2,6-dibromophenol609-21-257 % similar 2,4,6-Tribromophenol118-79-655 % similar 2,6-Dibromo-4-methylphenol2432-14-650 % similar 2,6-Dibromo-4-fluorophenol344-20-750 % similar 2,3,5,6-Tetrabromo-1,4-benzenediol2641-89-647 % similar 2,6-Dibromophenol608-33-345 % similar

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

Elsewhere

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