Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

DCE : Summary

Code

DCE

One-letter code

X

Molecule name

1,2-DICHLOROETHANE

Synonyms

ETHYLENE DICHLORIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 1,2-dichloroethane
OpenEye OEToolkits 1.5.0 1,2-dichloroethane

Formula

C2 H4 Cl2

Formal charge

0

Molecular weight

98.959 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 ClCCCl
SMILES CACTVS 3.341 ClCCCl
SMILES OpenEye OEToolkits 1.5.0 C(CCl)Cl
Canonical SMILES CACTVS 3.341 ClCCCl
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCl)Cl

IUPAC InChI

InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2

IUPAC InChI key

WSLDOOZREJYCGB-UHFFFAOYSA-N
DCE

wwPDB Information

Atom count

8 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned