KEGG   COMPOUND: C03679
Entry
C03679                      Compound                               
Name
4-Chlorophenylacetonitrile;
4-Chlorobenzyl cyanide
Formula
C8H6ClN
Exact mass
151.0189
Mol weight
151.59
Structure
Reaction
R04140
Enzyme
3.5.5.5
Other DBs
CAS: 140-53-4
PubChem: 6454
ChEBI: 17346
NIKKAJI: J38.178K
LinkDB
KCF data

ATOM        10
            1   C8y C    17.8347  -14.0657
            2   C8x C    16.6303  -14.7641
            3   C8x C    19.0586  -14.7641
            4   C1b C    17.8347  -12.6690
            5   C8x C    16.6303  -16.1673
            6   C8x C    19.0586  -16.1673
            7   C3b C    19.0393  -11.9706
            8   C8y C    17.8347  -16.8849
            9   N3a N    20.2438  -11.2723
            10  X   Cl   17.8347  -18.2750
BOND        10
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     7   9 3
            9     8  10 1
            10    6   8 1

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