Marvin  09130715562D          

  5  4  0  0  0  0            999 V2000
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   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    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.0312    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <ID>
CHEBI:39481

> <NAME>
chloroprene

> <STAR>
3

> <SYNONYM>
chloroprene; 2-chlorobutadiene; 2-Chloro-1,3-butadiene; 2-chloro-1,3-butadiene; 2-Chlor-1,3-butadien

> <IUPAC_NAME>
2-chlorobuta-1,3-diene

> <FORMULA>
C4H5Cl

> <MASS>
88.53520

> <MONOISOTOPIC_MASS>
88.00798

> <CHARGE>
0

> <SMILES>
ClC(=C)C=C

> <INCHI>
InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2

> <INCHIKEY>
YACLQRRMGMJLJV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
741875

> <CAS_REGISTRY_NUMBER>
126-99-8

> <GMELIN_REGISTRY_NUMBER>
277888

> <CHEMIDPLUS>
126-99-8

> <KEGG_COMPOUND_ACCESSION>
C19208

> <NIST_CHEMISTRY_WEBBOOK>
126-99-8

$$$$