27211
  -OEChem-04292400282D

 27 29  0     0  0  0  0  0  0999 V2000
    6.6353    0.1110    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3426   -0.9652    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -1.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156    2.4421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    2.6998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848   -1.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177   -2.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8029   -2.9175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
27211

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
326

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHgIAAAAADAqBmCAwwIMAAACIAiVSUACCAAAhBwAIiAEAZogIIHLBl5HEIAhghADIyAcciICOAAAAAACCABAAAAAAAQQAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(2,6-dichlorophenyl)indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-(2,6-dichlorophenyl)-3H-indol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(2,6-dichlorophenyl)-3<I>H</I>-indol-2-one

> <PUBCHEM_IUPAC_NAME>
1-(2,6-dichlorophenyl)-3H-indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2,6-bis(chloranyl)phenyl]-3H-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(2,6-dichlorophenyl)oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H9Cl2NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2

> <PUBCHEM_IUPAC_INCHIKEY>
JCICIFOYVSPMHG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
277.0061193

> <PUBCHEM_MOLECULAR_FORMULA>
C14H9Cl2NO

> <PUBCHEM_MOLECULAR_WEIGHT>
278.1

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2=CC=CC=C2N(C1=O)C3=C(C=CC=C3Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2=CC=CC=C2N(C1=O)C3=C(C=CC=C3Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
20.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
277.0061193

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

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

$$$$
