Mrv0541 02241205042D          

 11 10  0  0  0  0            999 V2000
    1.7605   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.7145    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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -0.7145    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  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1118

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/Ba.2ClHO4/c;2*2-1(3,4)5/h;2*(H,2,3,4,5)/q+2;;/p-2

> <INCHI_KEY>
OOULUYZFLXDWDQ-UHFFFAOYSA-L

> <FORMULA>
BaCl2O8

> <MOLECULAR_WEIGHT>
336.228

> <EXACT_MASS>
335.802263663

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
12.686602210281887

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(perchloryloxy)bario perchlorate

> <JCHEM_LOGP>
-0.4970000000000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
120.88

> <JCHEM_REFRACTIVITY>
23.63040000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(perchloryloxy)bario perchlorate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1118

> <NAME>
Barium perchlorate

> <CAS>
13465-95-7

> <SYNONYMS>
Barium diperchlorate; Barium perchlorate solution; Barium perchlorate, anhydrous; Barium perchloric acid; Perchloric acid, barium salt

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

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