71562776
  -OEChem-04232423572D

 34 35  0     0  0  0  0  0  0999 V2000
    7.1962   -2.3450    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 11  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 22  1  0  0  0  0
  4 20  2  0  0  0  0
  5 21  1  0  0  0  0
  5 34  1  0  0  0  0
  6 21  2  0  0  0  0
  7  9  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 21  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 22 31  1  0  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71562776

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
405

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOQAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHwAACAAADAzhng4+jpIIFgCoAzT3TAKCiCA1IiAI2CF+bNgNJvrEtZ+GOajmwBHL6ce42fOeAAABAAAAAAAAAAIAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[3-fluoro-5-(5-methoxycarbonyl-2-pyridyl)phenoxy]acetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-[3-fluoro-5-(5-methoxycarbonyl-2-pyridinyl)phenoxy]acetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[3-fluoro-5-(5-methoxycarbonylpyridin-2-yl)phenoxy]acetic acid

> <PUBCHEM_IUPAC_NAME>
2-[3-fluoro-5-(5-methoxycarbonylpyridin-2-yl)phenoxy]acetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[3-fluoranyl-5-(5-methoxycarbonylpyridin-2-yl)phenoxy]ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[3-(5-carbomethoxy-2-pyridyl)-5-fluoro-phenoxy]acetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12FNO5/c1-21-15(20)9-2-3-13(17-7-9)10-4-11(16)6-12(5-10)22-8-14(18)19/h2-7H,8H2,1H3,(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
GKGNRLHMZUZTEF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
305.06995065

> <PUBCHEM_MOLECULAR_FORMULA>
C15H12FNO5

> <PUBCHEM_MOLECULAR_WEIGHT>
305.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC(=O)C1=CN=C(C=C1)C2=CC(=CC(=C2)F)OCC(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC(=O)C1=CN=C(C=C1)C2=CC(=CC(=C2)F)OCC(=O)O

> <PUBCHEM_CACTVS_TPSA>
85.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
305.06995065

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
11  14  8
12  15  8
13  17  8
14  15  8
16  17  8
16  18  8
7  18  8
7  9  8
8  10  8
8  12  8
9  13  8

$$$$