Benzenediazonium chloride

CAS Number: 100-34-5
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N#[N+]c1ccccc1.[Cl-]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Cl.C6H5N2
Molecular Weight
105.12
Drug-likeness
-4.365
CAS
100-34-5
InChI key
CLRSZXHOSMKUIB-UHFFFAOYSA-M
SMILES
N#[N+]c1ccccc1.[Cl-]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 100-34-5
Molecule Name Benzenediazonium chloride
Molecular Formula Cl.C6H5N2
SMILES N#[N+]c1ccccc1.[Cl-]
InChI InChI=1S/C6H5N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5H;1H/q+1;/p-1
InChI Key CLRSZXHOSMKUIB-UHFFFAOYSA-M
CanonicalSyTyLFy 644c3f6be708b2cb
TotalMolweight 140.573
Molecular Weight 105.12
MonoisotopicMass 105.045273
CLogP 1.418
CLogS -2.284
H Acceptors 2
TotalSurfaceArea 97.83
Relative PSA 0.32015
PolarSurfaceArea 28.15
Drug-likeness -4.365
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecular Complexity 0.54931
Fragments 2
Non HAtoms 8
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Symmetricatoms 2

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