KEGG   COMPOUND: C06640
Entry
C06640                      Compound                               
Name
Bis(4'-chlorophenyl)acetate;
DDA
Formula
C14H10Cl2O2
Exact mass
280.0058
Mol weight
281.134
Structure
Reaction
R05251 R05376 R05479 R05481
Enzyme
4.1.1.-
Other DBs
CAS: 83-05-6
PubChem: 8866
ChEBI: 28139
3DMET: B01009
NIKKAJI: J3.870I
LinkDB
KCF data

ATOM        18
            1   C1c C    24.9200  -16.4284
            2   C8y C    26.1310  -17.1272
            3   C8y C    23.7031  -17.1272
            4   C6a C    24.9200  -15.0310
            5   C8x C    26.1310  -18.5246
            6   C8x C    27.3479  -16.4284
            7   C8x C    23.7031  -18.5246
            8   C8x C    22.4978  -16.4284
            9   O6a O    26.1369  -14.3264
            10  O6a O    23.7090  -14.3264
            11  C8x C    27.3479  -19.2290
            12  C8x C    28.5591  -17.1272
            13  C8x C    22.4978  -19.2290
            14  C8x C    21.2809  -17.1272
            15  C8y C    28.5591  -18.5246
            16  C8y C    21.2809  -18.5246
            17  X   Cl   29.7701  -19.2290
            18  X   Cl   20.0756  -19.2290
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 2
            13    8  14 1
            14   11  15 2
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   12  15 1
            19   14  16 2

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