KEGG   COMPOUND: C19204Help
Entry
C19204                      Compound                               

Name
Chlorendic acid;
1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid
Formula
C9H4Cl6O4
Exact mass
385.8241
Mol weight
388.8437
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C19204  Chlorendic acid
BRITE hierarchy
Other DBs
CAS: 115-28-6
PubChem: 124489876
ChEBI: 76603
ChEMBL: CHEMBL1496721 CHEMBL1906039 CHEMBL462314
LinkDB All DBs
KCF data Show

ATOM        19
            1   C1z C    28.9938  -17.2346
            2   C1y C    27.8264  -17.9214
            3   C2y C    30.1613  -17.9214
            4   C2y C    30.1613  -19.2262
            5   C1z C    28.9938  -18.5394
            6   C1y C    27.8264  -19.2262
            7   C1z C    29.6806  -16.1358
            8   X   Cl   28.0324  -16.3418
            9   X   Cl   28.9938  -19.8442
            10  X   Cl   31.2601  -17.3033
            11  X   Cl   30.7794  -20.3250
            12  X   Cl   28.9938  -14.7623
            13  X   Cl   30.5733  -15.2431
            14  C6a C    26.6369  -17.2346
            15  O6a O    25.4474  -17.9214
            16  O6a O    26.6369  -15.8613
            17  C6a C    26.6369  -19.9129
            18  O6a O    25.4474  -19.2262
            19  O6a O    26.6369  -21.2862
BOND        20
            1     1   2 1
            2     1   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   7 1
            7     5   7 1
            8     2   6 1
            9     1   8 1
            10    5   9 1
            11    3  10 1
            12    4  11 1
            13    7  12 1
            14    7  13 1
            15    2  14 1
            16   14  15 1
            17   14  16 2
            18    6  17 1
            19   17  18 1
            20   17  19 2

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