KEGG   COMPOUND: C03076
Entry
C03076                      Compound                               
Name
4-Bromophenylacetate;
4-Bromophenylacetic acid
Formula
C8H7BrO2
Exact mass
213.9629
Mol weight
215.044
Structure
Other DBs
CAS: 1878-68-8
PubChem: 5974
ChEBI: 1790
NIKKAJI: J79.192J
LinkDB
KCF data

ATOM        11
            1   C8x C    17.5700  -15.8200
            2   C8y C    17.5700  -17.2200
            3   C8x C    18.7824  -17.9200
            4   C8x C    19.9949  -17.2200
            5   C8y C    19.9949  -15.8200
            6   C8x C    18.7824  -15.1200
            7   X   Br   16.3576  -17.9200
            8   C1b C    21.2324  -15.1200
            9   C6a C    22.4449  -15.8200
            10  O6a O    23.6573  -15.1200
            11  O6a O    22.4449  -17.2198
BOND        11
            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     2   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 2

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