Marvin  08220609262D          
 
  4  3  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <ID>
CHEBI:34031

> <NAME>
1,1-dichloroethene

> <DEFINITION>
A member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines.

> <STAR>
3

> <SYNONYM>
vinylidene dichloride; Vinylidene chloride; 1,1-Dichloroethylene; 1,1-dichloroethene; 1,1-DCE

> <IUPAC_NAME>
1,1-dichloroethene

> <FORMULA>
C2H2Cl2

> <MASS>
96.94268

> <MONOISOTOPIC_MASS>
95.95336

> <CHARGE>
0

> <SMILES>
ClC(Cl)=C

> <INCHI>
InChI=1S/C2H2Cl2/c1-2(3)4/h1H2

> <INCHIKEY>
LGXVIGDEPROXKC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1733365

> <CAS_REGISTRY_NUMBER>
75-35-4

> <GMELIN_REGISTRY_NUMBER>
100784

> <REAXYS_REGISTRY_NUMBER>
1733365

> <CHEMIDPLUS>
75-35-4

> <KEGG_COMPOUND_ACCESSION>
C14039

> <NIST_CHEMISTRY_WEBBOOK>
75-35-4

> <WIKIPEDIA_ACCESSION>
1,1-Dichloroethene

> <PUBMED_CITATION>
12778208; 16807210; 3510861; 470972

$$$$