Mrv0541 02241204372D          

  5  4  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1765

> <DATABASE_NAME>
t3db

> <SMILES>
Br[Ti](Br)(Br)Br

> <INCHI_IDENTIFIER>
InChI=1S/4BrH.Ti/h4*1H;/q;;;;+4/p-4

> <INCHI_KEY>
UBZYKBZMAMTNKW-UHFFFAOYSA-J

> <FORMULA>
Br4Ti

> <MOLECULAR_WEIGHT>
367.483

> <EXACT_MASS>
363.621297641

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
15.967785713673134

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetrabromotitanium

> <JCHEM_LOGP>
3.7403999999999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
34.9408

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
titanium tetrabromide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1765

> <NAME>
Titanium tetrabromide

> <CAS>
7789-68-6

> <SYNONYMS>
TiBr4; Titanium bromide; Titanium(IV) bromide

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

$$$$