Marvin  06190620392D          

  4  3  0  0  0  0            999 V2000
   -1.0717   -0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <ID>
CHEBI:27789

> <NAME>
1,2-dichloroethane

> <DEFINITION>
A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:49557; CHEBI:497; CHEBI:18881

> <SYNONYM>
Glycol dichloride; Ethylene dichloride; ethylene chloride; ethane dichloride; EDC; Dutch liquid; DCE; Aethylendichlorid; Aethylenchlorid; alpha,beta-dichloroethane; 1,2-dichloroethane; 1,2-DICHLOROETHANE; 1,2-Dichloroethane; 1,2-Dichloraethan; 1,2-DCE

> <IUPAC_NAME>
1,2-dichloroethane

> <FORMULA>
C2H4Cl2

> <MASS>
98.95856

> <MONOISOTOPIC_MASS>
97.96901

> <CHARGE>
0

> <SMILES>
ClCCCl

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

> <INCHIKEY>
WSLDOOZREJYCGB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
605264

> <CAS_REGISTRY_NUMBER>
107-06-2

> <GMELIN_REGISTRY_NUMBER>
49272

> <REAXYS_REGISTRY_NUMBER>
605264

> <CHEMIDPLUS>
107-06-2

> <DRUGBANK_ACCESSION>
DB03733

> <KEGG_COMPOUND_ACCESSION>
C06752

> <METACYC_ACCESSION>
12-DICHLOROETHANE

> <NIST_CHEMISTRY_WEBBOOK>
107-06-2

> <PDBECHEM_ACCESSION>
DCE

> <WIKIPEDIA_ACCESSION>
1,2-Dichloroethane

> <PUBMED_CITATION>
17564600; 18579268; 24228488; 24329990; 24441515; 31520740; 32830330; 33047531

$$$$