11831
  -OEChem-04252410412D

 25 27  0     0  0  0  0  0  0999 V2000
    8.7040   -0.5112    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.3374    1.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321    0.2294    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5274    1.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    0.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -1.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    0.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -0.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -0.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9422    1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    1.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -1.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    1.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -1.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459   -1.4353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -1.4353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
11831

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
286

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAHAAEAAAADAiBGAAwwIAQQACBAiRCQwCCAAAgAgAoiAAAZIoIICKAkZGAIABggAAIyAcQgMAOiAAAQAAQAAAQAACAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-nitro-9H-fluorene

> <PUBCHEM_IUPAC_CAS_NAME>
2-nitro-9H-fluorene

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-nitro-9<I>H</I>-fluorene

> <PUBCHEM_IUPAC_NAME>
2-nitro-9H-fluorene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-nitro-9H-fluorene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-nitro-9H-fluorene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2

> <PUBCHEM_IUPAC_INCHIKEY>
XFOHWECQTFIEIX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.7

> <PUBCHEM_EXACT_MASS>
211.063328530

> <PUBCHEM_MOLECULAR_FORMULA>
C13H9NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
211.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
45.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
211.063328530

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  16  8
13  14  8
15  16  8
5  6  8
5  9  8
6  10  8
7  11  8
7  8  8
8  12  8
9  13  8

$$$$