Mrv0541 02241205032D          

  3  2  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 Ba  0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1095

> <DATABASE_NAME>
t3db

> <SMILES>
Br[Ba]Br

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

> <INCHI_KEY>
NKQIMNKPSDEDMO-UHFFFAOYSA-L

> <FORMULA>
BaBr2

> <MOLECULAR_WEIGHT>
297.135

> <EXACT_MASS>
295.741916567

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
9.363437844523155

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dibromobarium

> <JCHEM_LOGP>
1.6702

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
17.4704

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dibromobarium

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1095

> <NAME>
Barium bromide

> <CAS>
10553-31-8

> <SYNONYMS>
BaBr2; Barium bromide (BaBr2)

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

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