Mrv1572004161621582D          

  8  3  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5946    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1839   -1.6500    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    3.3589   -1.6500    0.0000 Sn  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  0  0  0  0
  6  5  1  0  0  0  0
M  CHG  2   7  -1   8   1
M  RAD  3   1   2   3   2   5   2
M  END
> <DATABASE_ID>
CHEM001071

> <DATABASE_NAME>
chemdb

> <SMILES>
[Br-].[SnH3+].[CH2]C.[CH2]C.[CH2]C

> <INCHI_IDENTIFIER>
InChI=1S/3C2H5.BrH.Sn.3H/c3*1-2;;;;;/h3*1H2,2H3;1H;;;;/q;;;;+1;;;/p-1

> <INCHI_KEY>
PNXAXXKMQTZBBI-UHFFFAOYSA-M

> <FORMULA>
C6H18BrSn

> <MOLECULAR_WEIGHT>
288.824

> <EXACT_MASS>
288.961391

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
4.148626402120881

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
1.44

> <JCHEM_LOGP>
1.3169

> <ALOGPS_LOGS>
0.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
9.912

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.26e+01 g/l

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1250

> <NAME>
Triethyltin bromide

> <CAS>
2767-54-6

> <SYNONYMS>
Bromotriethylstannane; Tin triethyl bromide; Tin, triethyl-, bromide; Triethyl tin bromide; Triethylstannium bromide

> <TYPES>
Organic Compound; Tin Compound; Organometallic; Bromide Compound; Industrial/Workplace Toxin; Synthetic Compound

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