(11-Bromoundecyl)(chloro)dimethylsilane

CAS Number: 330457-42-6
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C[Si](C)(CCCCCCCCCCCBr)Cl
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: high
Formula
C13H28BrClSi
Molecular Weight
327.808
Drug-likeness
-108.24
CAS
330457-42-6
InChI key
WOFGXJUDMCOIBH-UHFFFAOYSA-N
SMILES
C[Si](C)(CCCCCCCCCCCBr)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 330457-42-6
Molecule Name (11-Bromoundecyl)(chloro)dimethylsilane
Molecular Formula C13H28BrClSi
SMILES C[Si](C)(CCCCCCCCCCCBr)Cl
InChI InChI=1S/C13H28BrClSi/c1-16(2,15)13-11-9-7-5-3-4-6-8-10-12-14/h3-13H2,1-2H3
InChI Key WOFGXJUDMCOIBH-UHFFFAOYSA-N
CanonicalSyTyLFy ddf4e7d5da817e8f
TotalMolweight 327.808
Molecular Weight 327.808
MonoisotopicMass 326.083215
CLogP 6.7916
CLogS -7.065
TotalSurfaceArea 236.93
Drug-likeness -108.24
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant high
Nasty Functions prim. alkyl-bromide/iodide
Shape Index 0.875
Molecula Flexibility 0.55026
Molecular Complexity 0.34256
Fragments 1
Non HAtoms 16
NonCHAtoms 3
Electronegative Atoms 2
Rotatable Bond 11
Sp3Atoms 13
Symmetricatoms 1

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