Perchloric acid--2-chloropyridine (1/1)

CAS Number: 55916-71-7
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OCl(=O)(=O)=O.Clc1ncccc1
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
HO4Cl.C5H4NCl
Molecular Weight
113.547
Drug-likeness
-1.44
CAS
55916-71-7
InChI key
BKXPPPQOBOLNLF-UHFFFAOYSA-N
SMILES
OCl(=O)(=O)=O.Clc1ncccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 55916-71-7
Molecule Name Perchloric acid--2-chloropyridine (1/1)
Molecular Formula HO4Cl.C5H4NCl
SMILES OCl(=O)(=O)=O.Clc1ncccc1
InChI InChI=1S/C5H4ClN.ClHO4/c6-5-3-1-2-4-7-5;2-1(3,4)5/h1-4H;(H,2,3,4,5)
InChI Key BKXPPPQOBOLNLF-UHFFFAOYSA-N
CanonicalSyTyLFy ad3feeb93f61a456
TotalMolweight 214.004
Molecular Weight 113.547
MonoisotopicMass 113.003226
CLogP 1.3621
CLogS -1.32
H Acceptors 1
TotalSurfaceArea 87.44
Relative PSA 0.12546
PolarSurfaceArea 12.89
Drug-likeness -1.44
Mutagenic high
Tumorigenic high
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecular Complexity 0.73241
Fragments 2
Non HAtoms 7
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Aromatic Nitrogens 1

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