KEGG   COMPOUND: C14400
Entry
C14400                      Compound                               
Name
1,2,3-Trichloropropane
Formula
C3H5Cl3
Exact mass
145.9457
Mol weight
147.43
Structure
Other DBs
CAS: 96-18-4
PubChem: 17395400
ChEBI: 34036
PDB-CCD: 3KP[PDBj]
NIKKAJI: J3.962D
LinkDB
KCF data

ATOM        6
            1   C1b C    27.2015  -16.9546
            2   C1c C    28.4224  -17.6595
            3   X   Cl   25.9806  -17.6595
            4   C1b C    29.6262  -16.9642
            5   X   Cl   30.8219  -17.6545
            6   X   Cl   28.4225  -19.0691
BOND        5
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     4   5 1
            5     2   6 1

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