KEGG   COMPOUND: C16860
Entry
C16860                      Compound                               
Name
2,5,6-Tribromo-1-methylgramine
Formula
C12H13Br3N2
Exact mass
421.8629
Mol weight
424.957
Structure
Other DBs
CAS: 64945-29-5
PubChem: 96023381
ChEBI: 80773
NIKKAJI: J62.667H
LinkDB
KCF data

ATOM        17
            1   C8y C    25.1300  -12.9500
            2   C8y C    25.1300  -14.3500
            3   C8x C    26.3424  -15.0500
            4   C8y C    27.5549  -14.3500
            5   C8y C    27.5549  -12.9500
            6   C8x C    26.3424  -12.2500
            7   N4y N    28.8864  -14.7826
            8   C8y C    29.7093  -13.6500
            9   C8y C    28.8864  -12.5174
            10  X   Br   23.9176  -12.2500
            11  X   Br   23.9176  -15.0500
            12  C1b C    29.3176  -11.1906
            13  X   Br   31.0800  -13.6500
            14  C1a C    29.3176  -16.1094
            15  N1c N    30.6969  -10.8975
            16  C1a C    31.6595  -11.9669
            17  C1a C    31.1264   -9.5773
BOND        18
            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     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    1  10 1
            12    2  11 1
            13    9  12 1
            14    8  13 1
            15    7  14 1
            16   12  15 1
            17   15  16 1
            18   15  17 1

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