Chemical Components in the PDB

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8CL : Summary

Code

8CL

One-letter code

X

Molecule name

chlorobenzene

Systematic names

ProgramVersionName
ACDLabs 10.04 chlorobenzene
OpenEye OEToolkits 1.5.0 chlorobenzene

Formula

C6 H5 Cl

Formal charge

0

Molecular weight

112.557 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc1ccccc1
SMILES CACTVS 3.341 Clc1ccccc1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)Cl
Canonical SMILES CACTVS 3.341 Clc1ccccc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)Cl

IUPAC InChI

InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H

IUPAC InChI key

MVPPADPHJFYWMZ-UHFFFAOYSA-N
8CL

wwPDB Information

Atom count

12 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-02-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned