KEGG   COMPOUND: C14353
Entry
C14353                      Compound                               
Name
2-Chlorobiphenyl;
2-Monochlorobiphenyl;
PCB 1
Formula
C12H9Cl
Exact mass
188.0393
Mol weight
188.6529
Structure
Other DBs
CAS: 2051-60-7
PubChem: 17395353
ChEBI: 34269
NIKKAJI: J47.940C
KCF data

ATOM        13
            1   C8x C    25.8209  -17.2792
            2   C8x C    25.8209  -18.6783
            3   C8x C    27.0325  -19.3778
            4   C8x C    28.2442  -18.6783
            5   C8y C    28.2442  -17.2792
            6   C8x C    27.0325  -16.5797
            7   C8y C    29.4744  -16.5687
            8   C8x C    30.6788  -17.2639
            9   C8x C    31.8903  -16.5643
            10  C8x C    31.8903  -15.1652
            11  C8x C    30.6859  -14.4700
            12  C8y C    29.4743  -15.1696
            13  X   Cl   28.2556  -14.4660
BOND        14
            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   12  13 1

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