(18,18,18-Tribromooctadecyl)silane

CAS Number: 144705-90-8
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[SiH3]CCCCCCCCCCCCCCCCCC(Br)(Br)Br
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: high
Formula
C18H37Br3Si
Molecular Weight
521.29
Drug-likeness
-23.16
CAS
144705-90-8
InChI key
JHRJFGFVTSVYBL-UHFFFAOYSA-N
SMILES
[SiH3]CCCCCCCCCCCCCCCCCC(Br)(Br)Br
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 144705-90-8
Molecule Name (18,18,18-Tribromooctadecyl)silane
Molecular Formula C18H37Br3Si
SMILES [SiH3]CCCCCCCCCCCCCCCCCC(Br)(Br)Br
InChI InChI=1S/C18H37Br3Si/c19-18(20,21)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-22/h1-17H2,22H3
InChI Key JHRJFGFVTSVYBL-UHFFFAOYSA-N
CanonicalSyTyLFy d728c44b4de4463b
TotalMolweight 521.29
Molecular Weight 521.29
MonoisotopicMass 518.02146
CLogP 10.056
CLogS -8.958
TotalSurfaceArea 306.97
Drug-likeness -23.16
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant high
Nasty Functions sec./tert. alkyl-bromide/iodide
Shape Index 0.90909
Molecula Flexibility 0.54096
Molecular Complexity 0.41291
Fragments 1
Non HAtoms 22
NonCHAtoms 4
Electronegative Atoms 3
Rotatable Bond 17
Sp3Atoms 18
Symmetricatoms 2

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