KEGG   COMPOUND: C14445Help
Entry
C14445                      Compound                               

Name
Tris(2-chloroethyl)phosphate
Formula
C6H12Cl3O4P
Exact mass
283.9539
Mol weight
285.4898
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C14445  Tris(2-chloroethyl)phosphate
BRITE hierarchy
Other DBs
CAS: 115-96-8
PubChem: 17395445
ChEBI: 35037
ChEMBL: CHEMBL1413786
NIKKAJI: J4.095I
LinkDB All DBs
KCF data Show

ATOM        14
            1   P1b P    28.2967  -14.8027
            2   O3b O    28.2967  -13.4060
            3   O2b O    26.9000  -14.8027
            4   O2b O    28.2967  -16.1994
            5   O2b O    29.6933  -14.8027
            6   C1b C    30.9028  -14.1044
            7   C1b C    32.1125  -14.8027
            8   X   Cl   33.3220  -14.1044
            9   C1b C    25.6905  -14.1044
            10  C1b C    24.4809  -14.8027
            11  C1b C    27.5983  -17.4089
            12  C1b C    28.2967  -18.6185
            13  X   Cl   23.2526  -14.0933
            14  X   Cl   27.5874  -19.8466
BOND        13
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     3   9 1
            9     9  10 1
            10    4  11 1
            11   11  12 1
            12   10  13 1
            13   12  14 1

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