11280715412D 1   1.00000     0.00000     0

 13 13  0     0  0            999 V2000
    2.0917   -2.5625    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8042   -2.1417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6625   -2.1375    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0917   -3.3875    0.0000 C   0  0  0  0  0  0           0  0  0
    5.6542   -1.3125    0.0000 O   0  0  0  0  0  0           0  0  0
    3.5167   -2.5542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8042   -3.8000    0.0000 C   0  0  0  0  0  0           0  0  0
    4.2292   -2.1417    0.0000 O   0  0  0  0  0  0           0  0  0
    4.9500   -2.5500    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3792   -2.1417    0.0000 Cl  0  0  0  0  0  0           0  0  0
    1.3750   -3.8000    0.0000 Cl  0  0  0  0  0  0           0  0  0
    6.3792   -2.5417    0.0000 O   0  0  0  0  0  0           0  0  0
    3.5167   -3.3875    0.0000 C   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  9  1  0     0  0
  4  1  2  0     0  0
  5  3  2  0     0  0
  6  2  2  0     0  0
  7  4  1  0     0  0
  8  6  1  0     0  0
  9  8  1  0     0  0
 10  1  1  0     0  0
 11  4  1  0     0  0
 12  3  1  0     0  0
 13  7  2  0     0  0
  6 13  1  0     0  0
M  END
> <ID>
CHEBI:393747

> <NAME>
3,4-dichlorophenoxyacetic acid

> <DEFINITION>
A chlorophenoxyacetic acid that is phenoxyacetic acid in which the hydrogens at positions 3 and 4 of the phenyl group are replaced by chlorines.

> <STAR>
3

> <SYNONYM>
3,4-DA

> <IUPAC_NAME>
(3,4-dichlorophenoxy)acetic acid

> <FORMULA>
C8H6Cl2O3

> <MASS>
221.03700

> <MONOISOTOPIC_MASS>
219.96940

> <CHARGE>
0

> <SMILES>
OC(=O)COc1ccc(Cl)c(Cl)c1

> <INCHI>
InChI=1S/C8H6Cl2O3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)

> <INCHIKEY>
SNYRXHULAWEECU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
588-22-7

> <REAXYS_REGISTRY_NUMBER>
1969638

> <CHEMIDPLUS>
588-22-7

$$$$