Mrv0541 02241205162D          

  8  7  0  0  0  0            999 V2000
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9519    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    1.4289    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1250

> <DATABASE_NAME>
t3db

> <SMILES>
CC[Sn](Br)(CC)CC

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

> <INCHI_KEY>
KQPIFPBKXYBDGV-UHFFFAOYSA-M

> <FORMULA>
C6H15BrSn

> <MOLECULAR_WEIGHT>
285.8

> <EXACT_MASS>
285.937909698

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
18.25220749845308

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
bromotriethylstannane

> <ALOGPS_LOGP>
4.12

> <JCHEM_LOGP>
2.2352999999999996

> <ALOGPS_LOGS>
-2.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
40.2379

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.91e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
triethyltin bromide

> <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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