Mrv0541 02241205032D          

  9  8  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 Ba  0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  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  END
> <DATABASE_ID>
T3D1094

> <DATABASE_NAME>
t3db

> <SMILES>
O=[Br](=O)O[Ba]O[Br](=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Ba.2BrHO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2

> <INCHI_KEY>
VEASZGAADGZARC-UHFFFAOYSA-L

> <FORMULA>
BaBr2O6

> <MOLECULAR_WEIGHT>
393.131

> <EXACT_MASS>
391.711404299

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
13.809289498183446

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(bromyloxy)bario bromate

> <JCHEM_LOGP>
0.807

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-8.54578350504473

> <JCHEM_POLAR_SURFACE_AREA>
86.74000000000001

> <JCHEM_REFRACTIVITY>
25.942400000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(bromyloxy)bario bromate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1094

> <NAME>
Barium bromate

> <CAS>
13967-90-3

> <SYNONYMS>
Barium bromic acid; Bromic acid, barium salt

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

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