Mrv0541 09231415482D          

  9  6  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cd  0  2  0  0  0  0  0  0  0  0  0  0
    3.2411    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286   -0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0789    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
M  CHG  3   1   2   2  -1   6  -1
M  END
> <DATABASE_ID>
T3D0368

> <DATABASE_NAME>
t3db

> <SMILES>
[Cd++].[O-][Br](=O)=O.[O-][Br](=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2BrHO3.Cd/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2

> <INCHI_KEY>
VECQEXBULIKSDM-UHFFFAOYSA-L

> <FORMULA>
Br2CdO6

> <MOLECULAR_WEIGHT>
368.215

> <EXACT_MASS>
367.709521147

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
5.7537402640525395

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
cadmium(2+) ion dibromate

> <ALOGPS_LOGP>
-1.12

> <JCHEM_LOGP>
0.19101495400000004

> <ALOGPS_LOGS>
-1.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-29.82074684950307

> <JCHEM_POLAR_SURFACE_AREA>
57.199999999999996

> <JCHEM_REFRACTIVITY>
13.0639

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.54e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cadmium(2+) ion dibromate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0368

> <NAME>
Cadmium bromate

> <CAS>
14518-94-6

> <SYNONYMS>
Cadmium bromic acid; Cadmium dibromate; Cadmium(2+) bromate; Cadmium(2+) dibromate; Cadmium(II) bromate; Cadmium(II) dibromate

> <TYPES>
Inorganic Compound; Cadmium Compound; Bromate Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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