(1-Bromo-5-phenylpent-1-en-1-yl)(trimethyl)silane

CAS Number: 919285-10-2
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C[Si](C)(C)C(Br)=CCCCc1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C14H21BrSi
Molecular Weight
297.311
Drug-likeness
-55.412
CAS
919285-10-2
InChI key
JKMLZSHRISRBSE-UHFFFAOYSA-N
SMILES
C[Si](C)(C)C(Br)=CCCCc1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 919285-10-2
Molecule Name (1-Bromo-5-phenylpent-1-en-1-yl)(trimethyl)silane
Molecular Formula C14H21BrSi
SMILES C[Si](C)(C)C(Br)=CCCCc1ccccc1
InChI InChI=1S/C14H21BrSi/c1-16(2,3)14(15)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10,12H,7-8,11H2,1-3H3
InChI Key JKMLZSHRISRBSE-UHFFFAOYSA-N
CanonicalSyTyLFy 8b836d8064d205a0
TotalMolweight 297.311
Molecular Weight 297.311
MonoisotopicMass 296.059588
CLogP 5.9587
CLogS -3.491
TotalSurfaceArea 208.16
Drug-likeness -55.412
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.6875
Molecula Flexibility 0.633
Molecular Complexity 0.42796
Fragments 1
Non HAtoms 16
NonCHAtoms 2
Electronegative Atoms 1
Rotatable Bond 5
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 6
Symmetricatoms 4

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