23668195
 OpenBabel05082101102D

  5  3  0  0  0  0  0  0  0  0999 V2000
    2.8660    0.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
M  CHG  2   2   1   3  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
23668195

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
49.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMCAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;bromate

>  <PUBCHEM_IUPAC_CAS_NAME>
sodium;bromate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;bromate

>  <PUBCHEM_IUPAC_NAME>
sodium;bromate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;bromate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;bromate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1

>  <PUBCHEM_IUPAC_INCHIKEY>
XUXNAKZDHHEHPC-UHFFFAOYSA-M

>  <PUBCHEM_EXACT_MASS>
149.89285

>  <PUBCHEM_MOLECULAR_FORMULA>
BrNaO3

>  <PUBCHEM_MOLECULAR_WEIGHT>
150.89

>  <PUBCHEM_OPENEYE_CAN_SMILES>
[O-]Br(=O)=O.[Na+]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
[O-]Br(=O)=O.[Na+]

>  <PUBCHEM_CACTVS_TPSA>
57.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
149.89285

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
5

>  <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_NONSTANDARDBOND>
2  3  7

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
