BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL

5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL bmse001192 - Data

5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL synonyms

Triclosan

Wikipedia:

Graphical representations:

5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL

View large 3D structure

Molecular Formula: C12H7Cl3O2

Natural Isotopic Abundance Mass: 289.54178

Mono-Isotopic Molecular Masses:

  • C12N14: 287.951162504
  • C13N14: 299.99142056
  • C12N15: 287.951162504
  • C13N15: 299.99142056

InChI string: InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H

MMCD: cq_08626
PDB Compound ID: TCL
PubChem Compound (CID): 5564

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)