2,5-Dimethylphenylzinc iodide solution

CAS Number: 312692-96-9
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Cc1ccc(C)c[c-]1.[Zn+]I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
IZn.C8H9
Molecular Weight
105.159
Drug-likeness
-2.4599
CAS
312692-96-9
InChI key
ZRSTVQRJJCDLOT-UHFFFAOYSA-M
SMILES
Cc1ccc(C)c[c-]1.[Zn+]I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 312692-96-9
Molecule Name 2,5-Dimethylphenylzinc iodide solution
Molecular Formula IZn.C8H9
SMILES Cc1ccc(C)c[c-]1.[Zn+]I
InChI InChI=1S/C8H9.HI.Zn/c1-7-3-5-8(2)6-4-7;;/h3-5H,1-2H3;1H;/q-1;;+2/p-1
InChI Key ZRSTVQRJJCDLOT-UHFFFAOYSA-M
CanonicalSyTyLFy ccf56e515afbe20b
TotalMolweight 297.449
Molecular Weight 105.159
MonoisotopicMass 105.070425
CLogP 2.0708
CLogS -2.304
TotalSurfaceArea 90.66
Drug-likeness -2.4599
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecular Complexity 0.62123
Fragments 2
Non HAtoms 8
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 2

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