BMRB

Biological Magnetic Resonance Data Bank


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

Pentachlorophenol

Pentachlorophenol synonyms

Pentachlorophenol; PCP

Wikipedia:

Graphical representations:

pentachlorophenol image

Molecular Formula: C6 H O Cl5

Natural Isotopic Abundance Mass: 266.33654

Mono-Isotopic Molecular Masses:

  • C12N14: 263.8470032042
  • C13N14: 269.867132231
  • C12N15: 263.8470032042
  • C13N15: 269.867132231

InCHi String:

canonical and isomeric SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2,3,4,5,6-pentachlorophenol

PubChem Substance (SID):   111677834   56313955   50105535
PubChem Compound (CID):   992
KEGG: Compound ID   n/a
CAS Registry IDs:   87-86-5
PDB Chemical Component   PCI
Miscellaneous Databases and IDs:   Sigma-Aldrich P2604_ALDRICH   EPA DSSTox 48961   Shanghai Institute of Organic Chemistry 1y4z   NCGC NCGC00091143-05   MMCD cq_01582   MDL MFCD00002162

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.