(1,4-Phenylene)bis[(dichloromethyl)silane]

CAS Number: 830-45-5
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ClC([SiH2]c(cc1)ccc1[SiH2]C(Cl)Cl)Cl
Molecule Information
Mutagenic: high Tumorigenic: low Irritant: high
Formula
C8H10Cl4Si2
Molecular Weight
304.151
Drug-likeness
-13.746
CAS
830-45-5
InChI key
ZAXVBBUHJRGJDR-UHFFFAOYSA-N
SMILES
ClC([SiH2]c(cc1)ccc1[SiH2]C(Cl)Cl)Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
low
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 830-45-5
Molecule Name (1,4-Phenylene)bis[(dichloromethyl)silane]
Molecular Formula C8H10Cl4Si2
SMILES ClC([SiH2]c(cc1)ccc1[SiH2]C(Cl)Cl)Cl
InChI InChI=1S/C8H10Cl4Si2/c9-7(10)13-5-1-2-6(4-3-5)14-8(11)12/h1-4,7-8H,13-14H2
InChI Key ZAXVBBUHJRGJDR-UHFFFAOYSA-N
CanonicalSyTyLFy 84dbb0972c39cd3d
TotalMolweight 304.151
Molecular Weight 304.151
MonoisotopicMass 301.907512
CLogP 3.3864
CLogS -2.018
TotalSurfaceArea 159.94
Drug-likeness -13.746
Mutagenic high
Tumorigenic low
Reproductive Effective high
Irritant high
Shape Index 0.71429
Molecula Flexibility 0.58007
Molecular Complexity 0.51193
Fragments 1
Non HAtoms 14
NonCHAtoms 6
Electronegative Atoms 4
Rotatable Bond 4
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 2
Symmetricatoms 9

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