1-Naphthylzinc iodide solution

CAS Number: 46000-10-6
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[Zn+]I.[c-]1c(cccc2)c2ccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
IZn.C10H7
Molecular Weight
127.166
Drug-likeness
-2.3575
CAS
46000-10-6
InChI key
DUTYTNHFYDFTDS-UHFFFAOYSA-M
SMILES
[Zn+]I.[c-]1c(cccc2)c2ccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 46000-10-6
Molecule Name 1-Naphthylzinc iodide solution
Molecular Formula IZn.C10H7
SMILES [Zn+]I.[c-]1c(cccc2)c2ccc1
InChI InChI=1S/C10H7.HI.Zn/c1-2-6-10-8-4-3-7-9(10)5-1;;/h1-7H;1H;/q-1;;+2/p-1
InChI Key DUTYTNHFYDFTDS-UHFFFAOYSA-M
CanonicalSyTyLFy 68da5e379cec9b1
TotalMolweight 319.456
Molecular Weight 127.166
MonoisotopicMass 127.054775
CLogP 2.5774
CLogS -3.222
TotalSurfaceArea 100.74
Drug-likeness -2.3575
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.61821
Fragments 2
Non HAtoms 10
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 10

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