(2,5-Dibromophenoxy)(trimethyl)silane

CAS Number: 919355-38-7
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C[Si](C)(C)Oc(cc(cc1)Br)c1Br
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C9H12OBr2Si
Molecular Weight
324.087
Drug-likeness
-51.536
CAS
919355-38-7
InChI key
DSSYWUYXEUMFEW-UHFFFAOYSA-N
SMILES
C[Si](C)(C)Oc(cc(cc1)Br)c1Br
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 919355-38-7
Molecule Name (2,5-Dibromophenoxy)(trimethyl)silane
Molecular Formula C9H12OBr2Si
SMILES C[Si](C)(C)Oc(cc(cc1)Br)c1Br
InChI InChI=1S/C9H12Br2OSi/c1-13(2,3)12-9-6-7(10)4-5-8(9)11/h4-6H,1-3H3
InChI Key DSSYWUYXEUMFEW-UHFFFAOYSA-N
CanonicalSyTyLFy 35c8b3b3249c9d57
TotalMolweight 324.087
Molecular Weight 324.087
MonoisotopicMass 321.902414
CLogP 4.9585
CLogS -4.522
H Acceptors 1
TotalSurfaceArea 170.8
Relative PSA 0.058548
PolarSurfaceArea 9.23
Drug-likeness -51.536
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.53846
Molecula Flexibility 0.56697
Molecular Complexity 0.63811
Fragments 1
Non HAtoms 13
NonCHAtoms 4
Electronegative Atoms 3
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Symmetricatoms 2

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