Chemical Components in the PDB

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35C : Summary

Code

35C

One-letter code

X

Molecule name

3,5-dichlorobenzene-1,2-diol

Systematic names

ProgramVersionName
ACDLabs 11.02 3,5-dichlorobenzene-1,2-diol
OpenEye OEToolkits 1.6.1 3,5-dichlorobenzene-1,2-diol

Formula

C6 H4 Cl2 O2

Formal charge

0

Molecular weight

179.001 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 Clc1cc(Cl)cc(O)c1O
SMILES CACTVS 3.352 Oc1cc(Cl)cc(Cl)c1O
SMILES OpenEye OEToolkits 1.7.0 c1c(cc(c(c1O)O)Cl)Cl
Canonical SMILES CACTVS 3.352 Oc1cc(Cl)cc(Cl)c1O
Canonical SMILES OpenEye OEToolkits 1.7.0 c1c(cc(c(c1O)O)Cl)Cl

IUPAC InChI

InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H

IUPAC InChI key

XSXYVLIPQMXCBV-UHFFFAOYSA-N
35C

wwPDB Information

Atom count

14 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-07-09

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned