10986786
  -OEChem-05092422492D

 10  9  0     0  0  0  0  0  0999 V2000
    4.5981   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    1.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  3 10  1  0  0  0  0
  4 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  2  0  0  0  0
M  CHG  2   8   1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
10986786

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
253

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQADMYBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQQIQAAAAAAAABAAAAAAAAICAAAAAHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-diazo-1,1,1-trifluoro-methanesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-diazo-1,1,1-trifluoromethanesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-diazo-1,1,1-trifluoromethanesulfonamide

> <PUBCHEM_IUPAC_NAME>
N-diazo-1,1,1-trifluoromethanesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-diazo-1,1,1-tris(fluoranyl)methanesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-diazo-1,1,1-trifluoro-methanesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CF3N3O2S/c2-1(3,4)10(8,9)7-6-5

> <PUBCHEM_IUPAC_INCHIKEY>
NQPHMXWPDCSHTE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
174.96633191

> <PUBCHEM_MOLECULAR_FORMULA>
CF3N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
175.09

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(F)(F)(F)S(=O)(=O)N=[N+]=[N-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(F)(F)(F)S(=O)(=O)N=[N+]=[N-]

> <PUBCHEM_CACTVS_TPSA>
56.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
174.96633191

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  8  1

$$$$