Mrv0541 02241204082D          

  4  3  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
    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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
  2  4  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1493

> <DATABASE_NAME>
t3db

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

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

> <INCHI_KEY>
VSCWAEJMTAWNJL-UHFFFAOYSA-K

> <FORMULA>
AlCl3

> <MOLECULAR_WEIGHT>
133.341

> <EXACT_MASS>
131.888096562

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
9.488405258632799

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trichloroalumane

> <JCHEM_LOGP>
1.6534999999999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
18.408900000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
aluminium chloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1493

> <NAME>
Aluminium chloride

> <CAS>
7446-70-0

> <SYNONYMS>
AlCl3; Aluminium trichloride; Aluminium(III) chloride; Aluminum chloride anhydrous; Aluminum trichloride; Anhydrol forte; Caswell No. 029; Trichloridoaluminium; Trichloroalumane; Trichloroaluminum; [AlCl3]

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

$$$$