(2-Bromophenyl)(trichloro)silane

CAS Number: 18163-91-2
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Cl[Si](c(cccc1)c1Br)(Cl)Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C6H4BrCl3Si
Molecular Weight
290.447
Drug-likeness
-39.438
CAS
18163-91-2
InChI key
PLNNDWMRUGUSCT-UHFFFAOYSA-N
SMILES
Cl[Si](c(cccc1)c1Br)(Cl)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 18163-91-2
Molecule Name (2-Bromophenyl)(trichloro)silane
Molecular Formula C6H4BrCl3Si
SMILES Cl[Si](c(cccc1)c1Br)(Cl)Cl
InChI InChI=1S/C6H4BrCl3Si/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
InChI Key PLNNDWMRUGUSCT-UHFFFAOYSA-N
CanonicalSyTyLFy f501426dc7893412
TotalMolweight 290.447
Molecular Weight 290.447
MonoisotopicMass 287.833119
CLogP 2.1082
CLogS -4.372
TotalSurfaceArea 151.65
Drug-likeness -39.438
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.54545
Molecula Flexibility 0.47198
Molecular Complexity 0.65917
Fragments 1
Non HAtoms 11
NonCHAtoms 5
Electronegative Atoms 4
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Symmetricatoms 2

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