KEGG   COMPOUND: C13646
Entry
C13646                      Compound                               
Name
m-Chlorophenylbiguanide;
mCPBG;
1-(3-Chlorophenyl)biguanide
Formula
C8H10ClN5
Exact mass
211.0625
Mol weight
211.6515
Structure
Other DBs
CAS: 48144-44-1
PubChem: 586256
ChEBI: 32347
NIKKAJI: J341.557K
LinkDB
KCF data

ATOM        14
            1   C8y C    26.8552  -18.8214
            2   C8x C    25.6419  -18.1177
            3   C8y C    24.4257  -18.8167
            4   C8x C    24.4231  -20.2193
            5   C8x C    25.6364  -20.9229
            6   C8x C    26.8524  -20.2239
            7   C2c C    29.2792  -18.8298
            8   N1b N    30.4839  -18.1289
            9   N1b N    28.0686  -18.1289
            10  N2a N    29.2792  -20.2257
            11  C2c C    31.6886  -18.8298
            12  N1a N    32.8992  -18.1289
            13  N2a N    31.6886  -20.2257
            14  X   Cl   23.2040  -18.1123
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   1 1
            7     7   8 1
            8     7   9 1
            9     7  10 2
            10    8  11 1
            11   11  12 1
            12   11  13 2
            13    9   1 1
            14    3  14 1

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