Mrv0541 02241205432D          

  8  8  0  0  0  0            999 V2000
    0.4125   -0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.1709    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1709    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.9959    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3497    1.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    1.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1747    1.3116    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9959    0.4125    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  2  8  1  0  0  0  0
M  RAD  2   3   2   8   2
M  END
> <DATABASE_ID>
T3D1552

> <DATABASE_NAME>
t3db

> <SMILES>
C[Al]1[Br][Al](C)(C)(Br)[Br]1

> <INCHI_IDENTIFIER>
InChI=1S/3CH3.2Al.BrH.2Br/h3*1H3;;;1H;;/q;;;;+1;;;/p-1

> <INCHI_KEY>
UEALFILXPNDTNM-UHFFFAOYSA-M

> <FORMULA>
C3H9Al2Br3

> <MOLECULAR_WEIGHT>
338.779

> <EXACT_MASS>
335.788515111

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
22.77612089213352

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
1.83

> <JCHEM_LOGP>
4.555399999999999

> <ALOGPS_LOGS>
-1.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
42.801899999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.24e+00 g/l

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1552

> <NAME>
Methyl aluminum sesquibromide

> <CAS>
12263-85-3

> <SYNONYMS>
Methylaluminum sesquibromide; Tribromotrimethyldialuminium; Tribromotrimethyldialuminum

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

$$$$