Mrv1572004161622012D          

  8  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    3.1821   -1.6500    0.0000 Al  0  3  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    5.1857   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  2   5   1   6  -1
M  END
> <DATABASE_ID>
CHEM001320

> <DATABASE_NAME>
chemdb

> <SMILES>
C.C.C.[Al].[Al+].Br.Br.[Br-]

> <INCHI_IDENTIFIER>
InChI=1S/3CH4.2Al.3BrH/h3*1H4;;;3*1H/q;;;;+1;;;/p-1

> <INCHI_KEY>
XONRGYQQASBIRI-UHFFFAOYSA-M

> <FORMULA>
C3H14Al2Br3

> <MOLECULAR_WEIGHT>
343.82

> <EXACT_MASS>
340.827641

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
2.5910020514760492

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ¹-alumanylium tris(methane) alumane dihydrobromide bromide

> <ALOGPS_LOGP>
0.19

> <JCHEM_LOGP>
1.0809229439999999

> <ALOGPS_LOGS>
-0.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
6.3468

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.14e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
λ¹-alumanylium tris(methane) alumane dihydrobromide bromide

> <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

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