69492674
  -OEChem-05052407012D

 29 29  0     0  0  0  0  0  0999 V2000
    0.0000    1.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675    6.6200    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    4.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675   10.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    9.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015    9.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3291    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705    9.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1645    9.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1645    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1951    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044   10.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0306   10.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 29  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 12  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 17  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69492674

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
166

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIYAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAQCAAACAyBkAgwxoBAAgCAACRCQACCAAAgIgAIiAAGbIgIJiKCkZOAcABk0BEI2AewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-2-fluoro-phenol;4-fluoroaniline

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-2-fluorophenol;4-fluoroaniline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-amino-2-fluorophenol;4-fluoroaniline

> <PUBCHEM_IUPAC_NAME>
4-amino-2-fluorophenol;4-fluoroaniline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-2-fluoranyl-phenol;4-fluoranylaniline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-2-fluoro-phenol;(4-fluorophenyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H6FNO.C6H6FN/c7-5-3-4(8)1-2-6(5)9;7-5-1-3-6(8)4-2-5/h1-3,9H,8H2;1-4H,8H2

> <PUBCHEM_IUPAC_INCHIKEY>
FQEJRIRSWSOPNH-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
238.09176933

> <PUBCHEM_MOLECULAR_FORMULA>
C12H12F2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
238.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1N)F.C1=CC(=C(C=C1N)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1N)F.C1=CC(=C(C=C1N)F)O

> <PUBCHEM_CACTVS_TPSA>
72.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
238.09176933

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
12  14  8
13  15  8
14  16  8
15  17  8
16  17  8
6  7  8
6  8  8
7  10  8
8  11  8
9  10  8
9  11  8

$$$$