71721497
  -OEChem-04242411462D

 17 18  0     0  0  0  0  0  0999 V2000
    5.1350   -2.1550    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8450    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5309   -0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -0.9597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473    0.6497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1550    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  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71721497

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
214

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBjOAAAGAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAADgBEDAABqAwBlgAAxrAQAAChAQRgQgCCAAQgMAQgmCAk3LoJZiKAkJOAMABmwJkIyhewUAEAAEAEAoEARCgAgAgFAgCIUAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,7-dibromo-5,6-dihydroperoxy-2,1,3-benzoxadiazole

> <PUBCHEM_IUPAC_CAS_NAME>
4,7-dibromo-5,6-dihydroperoxy-2,1,3-benzoxadiazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
4,7-dibromo-5,6-dihydroperoxy-2,1,3-benzoxadiazole

> <PUBCHEM_IUPAC_NAME>
4,7-dibromo-5,6-dihydroperoxy-2,1,3-benzoxadiazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,7-bis(bromanyl)-5,6-bis(dioxidanyl)-2,1,3-benzoxadiazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,7-dibromo-5,6-dihydroperoxy-benzofurazan

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H2Br2N2O5/c7-1-3-4(10-15-9-3)2(8)6(14-12)5(1)13-11/h11-12H

> <PUBCHEM_IUPAC_INCHIKEY>
FSQAOBYGWQNRLR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
341.83100

> <PUBCHEM_MOLECULAR_FORMULA>
C6H2Br2N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
341.90

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1(=C(C2=NON=C2C(=C1OO)Br)Br)OO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1(=C(C2=NON=C2C(=C1OO)Br)Br)OO

> <PUBCHEM_CACTVS_TPSA>
97.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
339.83305

> <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  11  8
10  14  8
11  15  8
12  13  8
12  14  8
13  15  8
5  8  8
5  9  8
8  10  8
9  11  8

$$$$