KEGG   COMPOUND: C18529
Entry
C18529                      Compound                               
Name
2-Methyl-4-chlorophenoxybutyric acid;
MCPB
Formula
C11H13ClO3
Exact mass
228.0553
Mol weight
228.6721
Structure
Brite
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Phenoxy herbicides
    C18529  2-Methyl-4-chlorophenoxybutyric acid
Other DBs
CAS: 94-81-5
PubChem: 124489203
ChEBI: 81806
LinkDB
KCF data

ATOM        15
            1   C8x C    25.3400  -17.9900
            2   C8y C    25.3400  -19.3900
            3   C8x C    26.5300  -20.0900
            4   C8x C    27.7200  -19.3900
            5   C8y C    27.7200  -17.9900
            6   C8y C    26.5300  -17.2900
            7   X   Cl   24.0800  -20.0900
            8   C1a C    26.5300  -15.8900
            9   O2a O    28.9800  -17.2900
            10  C1b C    30.1700  -17.9900
            11  C1b C    31.4300  -17.2900
            12  C1b C    32.6307  -18.0099
            13  C6a C    33.8546  -17.3299
            14  O6a O    35.0874  -18.0687
            15  O6a O    33.8776  -15.9600
BOND        15
            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     6   8 1
            9     5   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   13  15 2

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