(2,6-Dichlorophenyl)(trimethyl)stannane

CAS Number: 55204-78-9
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C[Sn](C)(C)c(c(Cl)ccc1)c1Cl
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: low
Formula
C9H12Cl2Sn
Molecular Weight
309.81
Drug-likeness
-7.2351
CAS
55204-78-9
InChI key
LOIXWLAHJAPHMU-UHFFFAOYSA-N
SMILES
C[Sn](C)(C)c(c(Cl)ccc1)c1Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: low | Reproductive effective: low
PropertyValue
CAS Number 55204-78-9
Molecule Name (2,6-Dichlorophenyl)(trimethyl)stannane
Molecular Formula C9H12Cl2Sn
SMILES C[Sn](C)(C)c(c(Cl)ccc1)c1Cl
InChI InChI=1S/C6H3Cl2.3CH3.Sn/c7-5-2-1-3-6(8)4-5;;;;/h1-3H;3*1H3;
InChI Key LOIXWLAHJAPHMU-UHFFFAOYSA-N
CanonicalSyTyLFy 3f57fbd8745caa2e
TotalMolweight 309.81
Molecular Weight 309.81
MonoisotopicMass 309.933804
CLogP 4.6851
CLogS -3.477
TotalSurfaceArea 154.38
Drug-likeness -7.2351
Mutagenic high
Tumorigenic high
Reproductive Effective low
Irritant low
Nasty Functions unwanted atom
Shape Index 0.5
Molecula Flexibility 0.44738
Molecular Complexity 0.58275
Fragments 1
Non HAtoms 12
NonCHAtoms 3
Metal Atoms 1
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3
Symmetricatoms 5

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