3-(Trimethylsilyl)phenylboronic acid

Formula:C9H15O2BSi CAS:177171-16-3 ChemrytIQ

PropertyValue
Casrn177171-16-3
MolName3-(Trimethylsilyl)phenylboronic acid
MolecularFormulaC9H15O2BSi
SmilesC[Si](C)(C)c1cc(B(O)O)ccc1
InChIInChI=1S/C9H15BO2Si/c1-13(2,3)9-6-4-5-8(7-9)10(11)12/h4-7,11-12H,1-3H3
InChIKREMKRZLFPLDTKR-UHFFFAOYSA-N
CanonicalSyTyLFydb94ab0b05c75854
TotalMolweight194.113
Molweight194.113
MonoisotopicMass194.093437
CLogP3.1965
CLogS0.716
H Acceptors2
H Donors2
TotalSurfaceArea150.84
Relative PSA0.17369
PolarSurfaceArea40.46
Druglikeness-59.329
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functionsunwanted atom
Shape Index0.53846
Molecula Flexibility0.51687
Molecular Complexity0.60182
Fragments1
Non HAtoms13
NonCHAtoms4
Electronegative Atoms2
Rotatable Bond2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms5
Symmetricatoms3
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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100-51-6highhighhighC7H8O108.14-2.2456 ChemrytIQ
100-83-4highnonelowC7H6O2122.123-4.1407 ChemrytIQ
100-86-7nonenonenoneC10H14O150.22-2.4187 ChemrytIQ
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
100-20-9highnonelowC8H4O2Cl2203.024-10.706 ChemrytIQ
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100-21-0highnonehighC8H6O4166.132-1.8442 ChemrytIQ
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100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592 ChemrytIQ
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1000018-26-7nonenonenoneC16H23NO3277.363-15.052 ChemrytIQ
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1000-87-9nonenonenoneC7H1296.1723-2.6557 ChemrytIQ
100-68-5nonenonenoneC7H8S124.207-1.735 ChemrytIQ
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575 ChemrytIQ
100005-68-3nonenonenoneC13H12O4232.234-4.9451 ChemrytIQ
100002-29-7nonenonenoneC12H18N2O3238.2862.8956 ChemrytIQ
100-54-9nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
1000018-07-4nonenonenoneC14H13N3O239.2771.9531 ChemrytIQ
10001-43-1nonenonenoneC15H18N6O2314.3484.1828 ChemrytIQ
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078 ChemrytIQ
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1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861 ChemrytIQ
100004-81-7nonenonenoneC13H11NO3229.234-1.3547 ChemrytIQ
1000000-13-4highhighhighC21H28O12472.441-0.17986 ChemrytIQ
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100-17-4nonenonenoneC7H7NO3153.137-7.2945 ChemrytIQ
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