KEGG   COMPOUND: C19533
Entry
C19533                      Compound                               
Name
2,2',5,5'-Tetrachlorobenzidine
Formula
C12H8Cl4N2
Exact mass
319.9442
Mol weight
322.01
Structure
Other DBs
CAS: 15721-02-5
PubChem: 124490205
ChEBI: 82540
LinkDB
KCF data

ATOM        18
            1   C8y C    19.1419  -17.6964
            2   C8y C    18.4556  -18.9167
            3   C8x C    19.1691  -20.1212
            4   C8y C    20.5690  -20.1055
            5   C8y C    21.2554  -18.8852
            6   C8x C    20.5418  -17.6807
            7   C8y C    22.6770  -18.8691
            8   C8x C    23.3863  -20.0663
            9   C8y C    24.7862  -20.1205
            10  C8y C    25.4725  -18.8302
            11  C8x C    24.7632  -17.6330
            12  C8y C    23.3633  -17.6488
            13  X   Cl   21.2935  -21.3287
            14  X   Cl   18.4284  -16.4919
            15  N1a N    17.0557  -18.9324
            16  X   Cl   22.6456  -16.4373
            17  X   Cl   25.5111  -21.2738
            18  N1a N    26.8789  -18.8142
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14    4  13 1
            15    1  14 1
            16    2  15 1
            17   12  16 1
            18    9  17 1
            19   10  18 1

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