Mrv0541 02241205042D          

  8  6  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ba  0  2  0  0  0  0  0  0  0  0  0  0
    3.2411    0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 Si  0  6  0  0  0  0  0  0  0  0  0  0
    2.4161   -0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161    0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
M  CHG  2   1   2   3  -2
M  END
> <DATABASE_ID>
T3D1121

> <DATABASE_NAME>
t3db

> <SMILES>
[Ba++].F[Si--](F)(F)(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/Ba.F6Si/c;1-7(2,3,4,5)6/q+2;-2

> <INCHI_KEY>
RRLMRHFZRPYSNK-UHFFFAOYSA-N

> <FORMULA>
BaF6Si

> <MOLECULAR_WEIGHT>
279.403

> <EXACT_MASS>
279.872587036

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
5.9049461995268295

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
barium(2+) ion hexafluorosilanediuide

> <JCHEM_LOGP>
2.0999999999999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
9.007800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
barium(2+) ion hexafluorosilanediuide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1121

> <NAME>
Barium silicofluoride

> <CAS>
17125-80-3

> <SYNONYMS>
Barium fluorosilicate; Barium fluosilicate; Barium hexafluorosilicate; Barium hexafluorosilicate(2-); Barium silicon fluoride; Caswell No. 070; Hexafluorosilicate(2-) barium (1:1); Silicate(2-), hexafluoro-, barium; Silicate(2-), hexafluoro-, barium (1:1); Silicon fluoride barium salt

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

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