Chlorine azide (Cl(N3))

CAS Number: 13973-88-1
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[N-]=[N+]=NCl
Molecule Information
Mutagenic: low Tumorigenic: none Irritant: none
Formula
N3Cl
Molecular Weight
77.474
Drug-likeness
-3.145
CAS
13973-88-1
InChI key
ZGNIYAPHJAPRMA-UHFFFAOYSA-N
SMILES
[N-]=[N+]=NCl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 13973-88-1
Molecule Name Chlorine azide (Cl(N3))
Molecular Formula N3Cl
SMILES [N-]=[N+]=NCl
InChI InChI=1S/ClN3/c1-3-4-2
InChI Key ZGNIYAPHJAPRMA-UHFFFAOYSA-N
CanonicalSyTyLFy 3310b30fe20cd072
TotalMolweight 77.474
Molecular Weight 77.474
MonoisotopicMass 76.978074
CLogP -1.6203
CLogS -0.143
H Acceptors 3
TotalSurfaceArea 59.56
Relative PSA 0.62777
PolarSurfaceArea 25.96
Drug-likeness -3.145
Mutagenic low
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions acyl-halogenide type; Cl,Br,I on
Shape Index 1
Fragments 1
Non HAtoms 4
NonCHAtoms 4
Electronegative Atoms 4

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