Mrv0541 02241205072D          

  8  7  0  0  0  0            999 V2000
   -0.1914   -0.7145    0.0000 C   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
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -0.3020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.0000    0.0000 Cl  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
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1241

> <DATABASE_NAME>
t3db

> <SMILES>
CCCC[Sn](Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C4H9.3ClH.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;3*1H;/q;;;;+3/p-3

> <INCHI_KEY>
YMLFYGFCXGNERH-UHFFFAOYSA-K

> <FORMULA>
C4H9Cl3Sn

> <MOLECULAR_WEIGHT>
282.18

> <EXACT_MASS>
281.87917998

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
17.93442326807736

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
butyltrichlorostannane

> <ALOGPS_LOGP>
3.45

> <JCHEM_LOGP>
0.7422

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
37.7316

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.47e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
butyl trichloro tin

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1241

> <NAME>
Monobutyltin trichloride

> <CAS>
1118-46-3

> <SYNONYMS>
Butyl tin trichloride; Butyl(trichloro)stannane; Butylstannium trichloride; Butyltin trichloride; Butyltrichlorostannane; Butyltrichlorotin; Mono-n-butyltin trichloride; Monotributyltin trichloride; Stannane, butyltrichloro; Tin, n-butyl-, trichloride; Trichlorobutylstannane; Trichlorobutyltin

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

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