PDB Chemical Component 2CL

Ideal Model

Chemical Description

Name (2,6-DICHLOROPHENYL)ACETIC ACID
Formula C8 H6 Cl2 O2
Formal charge 0
Molecular weight 205.038 g/mol
Component type NON-POLYMER

Chemical features

Atom count 18
Chiral atom count 0
Bond count 18
Aromatic bond count 6

Chemical Identifiers

Systematic name (ACDLabs) (2,6-dichlorophenyl)acetic acid
Systematic name (OpenEye OEToolkits) 2-(2,6-dichlorophenyl)ethanoic acid

Chemical Descriptors

Stereo SMILES (CACTVS) OC(=O)Cc1c(Cl)cccc1Cl
SMILES (CACTVS) OC(=O)Cc1c(Cl)cccc1Cl
Stereo SMILES (OpenEye) c1cc(c(c(c1)Cl)CC(=O)O)Cl
InChI descriptor InChI=1/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)/f/h11H
InChIKey descriptor SFAILOOQFZNOAU-WXRBYKJCCK

Status Information

Last modified 2008-10-14
Created 2006-10-17
Release status REL
Model PDB code 2IPW
Processing site EBI