Mrv0541 02241205032D          

  3  2  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 Cl  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 Cl  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>
T3D1101

> <DATABASE_NAME>
t3db

> <SMILES>
Cl[Ba]Cl

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

> <INCHI_KEY>
WDIHJSXYQDMJHN-UHFFFAOYSA-L

> <FORMULA>
BaCl2

> <MOLECULAR_WEIGHT>
208.233

> <EXACT_MASS>
207.842946687

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
7.263536669381423

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichlorobarium

> <JCHEM_LOGP>
1.069

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
12.2726

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dichlorobarium

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1101

> <NAME>
Barium chloride

> <CAS>
10361-37-2

> <SYNONYMS>
BaCl2; Dichlorobarium

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

$$$$