6  5  0  0  0  0  0  0  0  0999 V2000
   27.2015  -16.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4224  -17.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9806  -17.6595    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   29.6262  -16.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8219  -17.6545    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.4225  -19.0691    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  2  4  1  0     0  0
  4  5  1  0     0  0
  2  6  1  0     0  0
M  END
> <ID>
CHEBI:34036

> <NAME>
1,2,3-Trichloropropane

> <STAR>
2

> <SYNONYM>
1,2,3-Trichloropropane

> <FORMULA>
C3H5Cl3

> <MASS>
147.431

> <MONOISOTOPIC_MASS>
145.94568

> <CHARGE>
0

> <SMILES>
ClCC(Cl)CCl

> <INCHI>
InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2

> <INCHIKEY>
CFXQEHVMCRXUSD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
96-18-4

> <KEGG_COMPOUND_ACCESSION>
C14400

$$$$