1000 58 4 | Cheminformatics

Trichloro(3-chlorobutyl)silane

Formula:C4H8Cl4Si CAS:1000-58-4

PropertyValue
Casrn1000-58-4
MolNameTrichloro(3-chlorobutyl)silane
MolecularFormulaC4H8Cl4Si
SmilesCC(CC[Si](Cl)(Cl)Cl)Cl
InChIInChI=1S/C4H8Cl4Si/c1-4(5)2-3-9(6,7)8/h4H,2-3H2,1H3/t4-/m0/s1
InChIKINTAPTLJHWGTSA-BYPYZUCNSA-N
CanonicalSyTyLFy2552d7060e60e132
TotalMolweight226.006
Molweight226.006
MonoisotopicMass223.914935
CLogP2.0384
CLogS-5.981
TotalSurfaceArea140.96
Druglikeness-54.611
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.66667
Molecula Flexibility0.73067
Molecular Complexity0.54931
Fragments1
Non HAtoms9
NonCHAtoms5
Electronegative Atoms4
StereoCenters1
Rotatable Bond3
Sp3Atoms4
Symmetricatoms2
StereoConracemate
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000-78-8highlownoneC11H24N2184.326-10.254
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
100-97-0highhighhighC6H12N4140.1891.5849
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100018-96-0highhighnoneC20H39O2I438.428-31.232
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-48-1nonenonenoneC6H4N2104.112-6.0498
100-67-4nonenonenoneK.C6H5O93.1047-2.2548
100-68-5nonenonenoneC7H8S124.207-1.735
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
100-66-3highnonehighC7H8O108.14-2.0846
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100033-28-1lownonehighC6H9N7179.186-2.3035
1000339-33-2nonenonenoneC10H11NClF199.6550.76
100-49-2nonenonenoneC7H14O114.187-9.3679
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
100007-55-4nonenonenoneC35H39O19763.676-1.2907
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
100-89-0nonenonelowC18H36O6B2370.1-16.157
100-02-7nonenonenoneC6H5NO3139.11-7.5665
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
100-83-4highnonelowC7H6O2122.123-4.1407
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
100-99-2nonenonelowC12H27Al198.328-22.009
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
100-69-6nonenonenoneC7H7N105.14-4.4598
1000017-98-0nonenonenoneC8H4N2O2BrCl275.489-2.5326
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100-53-8nonehighhighC7H8S124.207-6.3177
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
1000269-66-8nonenonenoneC12H20N4220.3190.5423
100-18-5nonenonenoneC12H18162.275-2.5088
100-61-8highnonenoneC7H9N107.155-0.23765
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988
100-54-9nonenonenoneC6H4N2104.112-6.0498
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
100-52-7highhighhighC7H6O106.124-4.225
100-50-5nonenonehighC7H10O110.155-9.6048
1000-44-8highhighlowC7H7Cl126.586-8.5908
100-71-0nonenonenoneC7H9N107.155-2.2725
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
10000-51-8nonenonenoneC14H15NO3245.2770.10503
100-38-9nonenonehighC6H15NS133.2580.17671
10001-46-4nonenonenoneC9H11N3O3209.2041.9565
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
100-29-8nonenonenoneC8H9NO3167.163-8.928
100-13-0nonenonelowC8H7NO2149.149-10.212
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
100-22-1highhighnoneC10H16N2164.2510.40939