T6C

2,4,6-trichlorophenol

Created:	2013-05-09
Last modified:	2013-09-04

Find Related PDB Entry
9 entries where T6C is found as a standalone ligand1 entries where T6C is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	6

2D diagram of T6C

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2,4,6-trichlorophenol
Systematic Name (OpenEye OEToolkits)	2,4,6-tris(chloranyl)phenol
Formula	C₆ H₃ Cl₃ O
Molecular Weight	197.446
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc(Cl)cc(Cl)c1O
SMILES	CACTVS	3.370	Oc1c(Cl)cc(Cl)cc1Cl
SMILES	OpenEye OEToolkits	1.7.6	c1c(cc(c(c1Cl)O)Cl)Cl
Canonical SMILES	CACTVS	3.370	Oc1c(Cl)cc(Cl)cc1Cl
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1c(cc(c(c1Cl)O)Cl)Cl
InChI	InChI	1.03	InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey	InChI	1.03	LINPIYWFGCPVIE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6914
ChEMBL	CHEMBL309917
ChEBI	CHEBI:28755
CCDC/CSD	CAKYOE, HOGLEX, SILGOK, IJOBAN
COD	2215609

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.