Magnesium iodide phenylmethanide (1/1/1)

CAS Number: 37782-11-9
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[CH2-]c1ccccc1.[Mg+2].[I-]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
I.Mg.C7H7
Molecular Weight
91.1326
Drug-likeness
-2.3575
CAS
37782-11-9
InChI key
ADIUTCVTMSNXEF-UHFFFAOYSA-M
SMILES
[CH2-]c1ccccc1.[Mg+2].[I-]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 37782-11-9
Molecule Name Magnesium iodide phenylmethanide (1/1/1)
Molecular Formula I.Mg.C7H7
SMILES [CH2-]c1ccccc1.[Mg+2].[I-]
InChI InChI=1S/C7H7.HI.Mg/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q-1;;+2/p-1
InChI Key ADIUTCVTMSNXEF-UHFFFAOYSA-M
CanonicalSyTyLFy cae2109f9bfbbb97
TotalMolweight 242.338
Molecular Weight 91.1326
MonoisotopicMass 91.054775
CLogP 1.4924
CLogS -1.96
TotalSurfaceArea 66.51
Drug-likeness -2.3575
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecular Complexity 0.64864
Fragments 3
Non HAtoms 7
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1
Symmetricatoms 2

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