Mrv0541 02241204122D          

  3  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 F   0  5  0  0  0  0  0  0  0  0  0  0
    0.8839    0.0000    0.0000 F   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Ba  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1  -1   2  -1   3   2
M  END
> <DATABASE_ID>
T3D1107

> <DATABASE_NAME>
t3db

> <SMILES>
[F-].[F-].[Ba++]

> <INCHI_IDENTIFIER>
InChI=1S/Ba.2FH/h;2*1H/q+2;;/p-2

> <INCHI_KEY>
OYLGJCQECKOTOL-UHFFFAOYSA-L

> <FORMULA>
BaF2

> <MOLECULAR_WEIGHT>
175.324

> <EXACT_MASS>
175.902047683

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
0.43590066

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
barium(2+) ion difluoride

> <JCHEM_LOGP>
0.14883863966666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.1699999999999995

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0.8725

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
barium(2+) ion difluoride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1107

> <NAME>
Barium fluoride

> <CAS>
7787-32-8

> <SYNONYMS>
Barium fluoride, optical grade

> <TYPES>
Inorganic Compound; Barium Compound; Fluoride Compound; Industrial/Workplace Toxin; Natural Compound

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