Ketcher 10291811352D 1   1.00000     0.00000     0

  5  4  0     0  0            999 V2000
    7.3521   -6.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2181   -6.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0842   -6.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9503   -6.1195    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2181   -5.1196    0.0000 Cl  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  1  0     0  0
  2  5  1  0     0  0
M  END
> <ID>
CHEBI:142468

> <NAME>
1,2-dichloropropane

> <DEFINITION>
A chloroalkane that is propane in which a hydrogen from each of two adjacent carbons has been replaced by chlorines.

> <STAR>
3

> <FORMULA>
C3H6Cl2

> <MASS>
112.986

> <MONOISOTOPIC_MASS>
111.98466

> <CHARGE>
0

> <SMILES>
CC(CCl)Cl

> <INCHI>
InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3

> <INCHIKEY>
KNKRKFALVUDBJE-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
1718880

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