Bromine azide (Br(N3))

CAS Number: 13973-87-0
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[N-]=[N+]=NBr
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
N3Br
Molecular Weight
121.925
Drug-likeness
-3.145
CAS
13973-87-0
InChI key
KFCUPNHUPHDVJC-UHFFFAOYSA-N
SMILES
[N-]=[N+]=NBr
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 13973-87-0
Molecule Name Bromine azide (Br(N3))
Molecular Formula N3Br
SMILES [N-]=[N+]=NBr
InChI InChI=1S/BrN3/c1-3-4-2
InChI Key KFCUPNHUPHDVJC-UHFFFAOYSA-N
CanonicalSyTyLFy e8d81458b3e31210
TotalMolweight 121.925
Molecular Weight 121.925
MonoisotopicMass 120.927558
CLogS -0.295
H Acceptors 3
TotalSurfaceArea 62.77
Relative PSA 0.59567
PolarSurfaceArea 25.96
Drug-likeness -3.145
Mutagenic none
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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