Mrv0541 02241204062D          

  4  3  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
    0.8250    0.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    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
M  END
> <DATABASE_ID>
T3D1720

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/Al.3BrH/h;3*1H/q+3;;;/p-3

> <INCHI_KEY>
PQLAYKMGZDUDLQ-UHFFFAOYSA-K

> <FORMULA>
AlBr3

> <MOLECULAR_WEIGHT>
266.694

> <EXACT_MASS>
263.736551382

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
12.998093258284975

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tribromoalumane

> <JCHEM_LOGP>
2.5553

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
26.205600000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
aluminium bromide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1720

> <NAME>
Aluminium bromide

> <CAS>
7727-15-3

> <SYNONYMS>
AlBr3; Aluminum bromide; Aluminum bromide (AlBr3); Aluminum bromide (anhydrous); Aluminum bromide solution; Aluminum bromide, anhydrous; Aluminum bromide, anhydrous(dot); Aluminum bromide, solution; Tribromoaluminium; Tribromoaluminum

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

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