3391107
  -OEChem-04252403242D

 28 30  0     0  0  0  0  0  0999 V2000
    3.7320    0.4801    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5199    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9212    2.5546    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804    0.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -2.5546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3406    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3291    2.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2124    0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893    2.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726    1.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0610    2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -0.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.7099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -2.3528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886    2.3284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2196   -0.0853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1821    3.1545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6131    0.7409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3391107

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
325

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIQAGAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHwIAAAAADA7Bniw8xvIIFACgAzRnRACCiCAxJyAI2CA+bpgMJmLFs5uGOCjmwBnI6AeQwKAOBAAAAAKDAAAIAAAABQYAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,7-dichloro-4-(4-fluorophenoxy)quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
5,7-dichloro-4-(4-fluorophenoxy)quinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,7-dichloro-4-(4-fluorophenoxy)quinoline

> <PUBCHEM_IUPAC_NAME>
5,7-dichloro-4-(4-fluorophenoxy)quinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,7-bis(chloranyl)-4-(4-fluoranylphenoxy)quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,7-dichloro-4-(4-fluorophenoxy)quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H

> <PUBCHEM_IUPAC_INCHIKEY>
WRPIRSINYZBGPK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
306.9966974

> <PUBCHEM_MOLECULAR_FORMULA>
C15H8Cl2FNO

> <PUBCHEM_MOLECULAR_WEIGHT>
308.1

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F

> <PUBCHEM_CACTVS_TPSA>
22.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
306.9966974

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  14  8
11  15  8
12  14  8
13  16  8
13  17  8
16  18  8
17  19  8
18  20  8
19  20  8
5  15  8
5  8  8
6  7  8
6  8  8
6  9  8
7  11  8
8  10  8
9  12  8

$$$$