Mrv0541 02241215162D          

  9  6  0  0  0  0            999 V2000
   -1.7050    0.6187    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
   -0.7700   -0.9213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0550   -0.9213    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0550   -1.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   -0.5087    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1650    1.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    1.3337    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    0.5087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7050    1.7463    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  CHG  3   1   2   5  -1   9  -1
M  END
> <DATABASE_ID>
CHEM004938

> <DATABASE_NAME>
chemdb

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

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

> <INCHI_KEY>
GROPHIUSZODNGU-UHFFFAOYSA-L

> <FORMULA>
Br2CaO6

> <MOLECULAR_WEIGHT>
295.882

> <EXACT_MASS>
293.768754181

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
5.753740264052537

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
calcium dibromate

> <JCHEM_LOGP>
0.19101495400000004

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-29.82074684950307

> <JCHEM_POLAR_SURFACE_AREA>
57.2

> <JCHEM_REFRACTIVITY>
13.0639

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
calcium dibromate

> <JCHEM_VEBER_RULE>
0

> <NAME>
CALCIUM BROMATE

> <CAS>
10102-75-7

$$$$