KEGG   COMPOUND: C15189
Entry
C15189                      Compound                               
Name
3-(4-Chlorophenyl)-2H-1-benzopyran-2-one;
3-(p-Chlorophenyl)coumarin
Formula
C15H9ClO2
Exact mass
256.0291
Mol weight
256.6838
Structure
Other DBs
PubChem: 17396186
ChEBI: 79706
NIKKAJI: J1.093.900C
LinkDB
KCF data

ATOM        18
            1   C8x C    14.0000  -15.8200
            2   C8x C    14.0000  -17.2200
            3   C8x C    15.2124  -17.9200
            4   C8y C    16.4249  -17.2200
            5   C8y C    16.4249  -15.8200
            6   C8x C    15.2124  -15.1200
            7   C8x C    17.6373  -17.9200
            8   C8y C    18.8497  -17.2200
            9   C8y C    18.8497  -15.8200
            10  O7x O    17.6373  -15.1200
            11  C8y C    20.0473  -17.9115
            12  C8x C    20.0473  -19.3197
            13  C8x C    21.2598  -20.0197
            14  C8y C    22.4722  -19.3197
            15  C8x C    22.4722  -17.9115
            16  C8x C    21.2597  -17.2115
            17  X   Cl   23.6831  -20.0188
            18  O6a O    20.0473  -15.1285
BOND        20
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   14  17 1
            20    9  18 2

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