KEGG   COMPOUND: C08736
Entry
C08736                      Compound                               
Name
6-Chloro-1,3,5-triazine-2,4(1H,3H)-dione;
2-Chloro-4,6-dihydroxy-1,3,5-triazine
Formula
C3H2ClN3O2
Exact mass
146.9836
Mol weight
147.5199
Structure
Other DBs
CAS: 69125-10-6
PubChem: 10929
ChEBI: 1040
NIKKAJI: J313.838K
KCF data

ATOM        9
            1   C8y C    26.7878  -20.9327
            2   N5x N    28.0000  -21.6295
            3   N5x N    26.7878  -19.5273
            4   O1a O    25.5756  -21.6295
            5   C8y C    29.2122  -20.9327
            6   C8y C    28.0000  -18.8305
            7   N5x N    29.2122  -19.5273
            8   O1a O    30.4244  -21.6295
            9   X   Cl   28.0058  -17.4307
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     5   7 1
            7     5   8 1
            8     6   9 1
            9     6   7 2

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