91739
  -OEChem-04262411142D

 20 21  0     0  0  0  0  0  0999 V2000
    2.0000    0.0427    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    2.0668    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.0080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    2.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    2.6973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    0.2098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 15  1  0  0  0  0
  3 20  1  0  0  0  0
  4 15  2  0  0  0  0
  5  7  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
91739

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
262

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYByMAAGAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgIACAAADArBniQ8yPIIEgCoAzT3TACCgCA1BSAI2CEoTtgIJvrBl5HEcYhmwAHI3UeYyOCOBAACAAIDAAAIAAQABAYAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,7-dichloroquinoline-8-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
3,7-dichloro-8-quinolinecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,7-dichloroquinoline-8-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
3,7-dichloroquinoline-8-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,7-bis(chloranyl)quinoline-8-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,7-dichloroquinoline-8-carboxylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
FFSSWMQPCJRCRV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
240.9697338

> <PUBCHEM_MOLECULAR_FORMULA>
C10H5Cl2NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
242.05

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl

> <PUBCHEM_CACTVS_TPSA>
50.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
240.9697338

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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  12  8
11  13  8
13  14  8
5  14  8
5  7  8
6  11  8
6  7  8
6  9  8
7  8  8
8  10  8
9  12  8

$$$$