Mrv0541 02241205242D          

  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 Ca  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>
T3D1727

> <DATABASE_NAME>
t3db

> <SMILES>
Br[Ca]Br

> <INCHI_IDENTIFIER>
InChI=1S/2BrH.Ca/h2*1H;/q;;+2/p-2

> <INCHI_KEY>
WGEFECGEFUFIQW-UHFFFAOYSA-L

> <FORMULA>
Br2Ca

> <MOLECULAR_WEIGHT>
199.886

> <EXACT_MASS>
197.799266449

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
8.636155710606802

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dibromocalcium

> <JCHEM_LOGP>
1.3702

> <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>
calcium bromide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1727

> <NAME>
Calcium bromide

> <CAS>
7789-41-5

> <SYNONYMS>
CaBr2; Calcium bromide (CaBr2); Hydrobromic acid calcium salt; Kalziumbromid

> <TYPES>
Inorganic Compound; Bromide Compound; Food Toxin; Synthetic Compound

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