Mrv1572004251606112D          

  4  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
    0.4125   -1.6500    0.0000 Al  0  3  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.6500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  2   3   1   4  -1
M  END
> <DATABASE_ID>
CHEM009490

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/2CH4.Al.ClH/h2*1H4;;1H/q;;+1;/p-1

> <INCHI_KEY>
NCFIZKIFHOGVDX-UHFFFAOYSA-M

> <FORMULA>
C2H8AlCl

> <MOLECULAR_WEIGHT>
94.52

> <EXACT_MASS>
94.0129915

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
2.5910020514760492

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ¹-alumanylium bis(methane) chloride

> <ALOGPS_LOGP>
-0.04

> <JCHEM_LOGP>
1.0809229439999999

> <ALOGPS_LOGS>
0.20

> <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>
9.88e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
λ¹-alumanylium bis(methane) chloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Aluminum, chlorodimethyl-

> <CAS>
1184-58-3

$$$$