Strontium iodide 9H-fluoren-1-ide (1/1/1)

CAS Number: 62336-84-9
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C1c(cccc2)c2-c2c1[c-]ccc2.[Sr+2].[I-]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
I.Sr.C13H9
Molecular Weight
165.214
Drug-likeness
-2.3702
CAS
62336-84-9
InChI key
JKQKEHHQRHONCR-UHFFFAOYSA-M
SMILES
C1c(cccc2)c2-c2c1[c-]ccc2.[Sr+2].[I-]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62336-84-9
Molecule Name Strontium iodide 9H-fluoren-1-ide (1/1/1)
Molecular Formula I.Sr.C13H9
SMILES C1c(cccc2)c2-c2c1[c-]ccc2.[Sr+2].[I-]
InChI InChI=1S/C13H9.HI.Sr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;/h1-5,7-8H,9H2;1H;/q-1;;+2/p-1
InChI Key JKQKEHHQRHONCR-UHFFFAOYSA-M
CanonicalSyTyLFy de1493ee76b3b4a6
TotalMolweight 379.734
Molecular Weight 165.214
MonoisotopicMass 165.070425
CLogP 3.4013
CLogS -4.327
TotalSurfaceArea 126.16
Drug-likeness -2.3702
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.53846
Molecular Complexity 0.74421
Fragments 3
Non HAtoms 13
Rings Closures 3
Small Rings 3
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 1

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