4  3  0  0  0  0  0  0  0  0999 V2000
   12.3900  -15.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.6024  -14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8149  -15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0273  -14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
M  END
> <ID>
CHEBI:82379

> <NAME>
Allyl chloride

> <STAR>
2

> <FORMULA>
C3H5Cl

> <MASS>
76.52500

> <MONOISOTOPIC_MASS>
76.00798

> <CHARGE>
0

> <SMILES>
ClCC=C

> <INCHI>
InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2

> <INCHIKEY>
OSDWBNJEKMUWAV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
107-05-1

> <KEGG_COMPOUND_ACCESSION>
C19316

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