bmse000678 2,4,6-trichlorophenol at BMRB

2,4,6-trichlorophenol

1,3,5-Trichloro-2-hydroxybenzene; Phenol, 2,4,6-trichloro-; 2,4,6-TCP; 2,4,6-trichlorophenol; phenol, 2,4,6-trichloro-; 2,4,6-Trichlorophenol; Dowicide 2s

Molecular Formula: C6 H3 O Cl3
Natural Isotopic Abundance Mass: 197.44642
Mono-Isotopic Molecular Masses: C12N14: 195.9249478484; C13N14: 201.9450768752; C12N15: 195.9249478484; C13N15: 201.9450768752

2,4,6-trichlorophenol

InCHi String:
InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

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

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2,4,6-trichlorophenol

PubChem Substance (SID):   111677816   9309   24900294
PubChem Compound (CID):   6914
KEGG: Compound ID   C07098
CAS Registry IDs:   88-06-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich T55301_ALDRICH   EPA DSSTox 32856   ChEBI CHEBI:28755   NMRShiftDB 10015994   ZINC ZINC00391974   NIST Chemistry WebBook 1125257858   MMCD cq_04171   MDL MFCD00002172

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.