chempirical

3,4′,5-Tribromosalicylanilide

C13H8Br3NO2CAS 87-10-5449.92 g/mol

Open in Covalent MOL file
ONHBrBrBrHO
AmideAryl halidePhenol

Properties

Molecular formula
C13H8Br3NO2
Molar mass
449.92 g/mol
Exact mass
446.8105 Da
Melting point
227 °C
logP
4.93Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
87-10-5
SMILES
O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O
InChIKey
KVSKGMLNBAPGKH-UHFFFAOYSA-N
InChI
InChI=1S/C13H8Br3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)

Weigh it out

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

Names and synonyms

19 names · show all
  • Benzamide, 3,5-dibromo-N-(4-bromophenyl)-2-hydroxy-
  • Salicylanilide, 3,4′,5-tribromo-
  • 3,5-Dibromo-N-(4-bromophenyl)-2-hydroxybenzamide
  • 3,5-Dibromo-6-hydroxybenz-p-bromanilide
  • Temasept II
  • Temasept IV
  • Tribromsalan
  • Tempasept II
  • 3,5-Dibromosalicylic acid p-bromoanilide
  • Trisanyl
  • Vancide TBS
  • Sherstat TBS
  • Tuasal 100
  • Trisanil
  • Agramed
  • WR 34912
  • TBS
  • Tuasol
  • NSC 20526

Work with 3,4′,5-Tribromosalicylanilide

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

3,5-Dibromosalicylic acid3147-55-554 % similar Methyl 3,5-dibromosalicylate21702-79-450 % similar 2,4,6-Tribromophenol118-79-644 % similar Osalmid526-18-141 % similar 5,7-Dibromo-2-(5,7-dibromo-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one2475-31-240 % similar Phosgene-tetrabromobisphenol A polymer bis(2,4,6-tribromophenyl) ester71342-77-340 % similar 2,5-Dibromobenzoic acid610-71-939 % similar 2,4-Dibromobenzoic acid611-00-739 % similar

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

Elsewhere

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