Phosphorazidic dibromide

CAS Number: 69715-77-1
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[N-]=[N+]=NP(Br)(Br)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
N3OBr2P
Molecular Weight
248.802
Drug-likeness
-9.3404
CAS
69715-77-1
InChI key
HZMZVRBKGYVVHO-UHFFFAOYSA-N
SMILES
[N-]=[N+]=NP(Br)(Br)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 69715-77-1
Molecule Name Phosphorazidic dibromide
Molecular Formula N3OBr2P
SMILES [N-]=[N+]=NP(Br)(Br)=O
InChI InChI=1S/Br2N3OP/c1-7(2,6)5-4-3
InChI Key HZMZVRBKGYVVHO-UHFFFAOYSA-N
CanonicalSyTyLFy 3331932bcfd54c47
TotalMolweight 248.802
Molecular Weight 248.802
MonoisotopicMass 246.814571
CLogP -0.6919
CLogS 0.032
H Acceptors 4
TotalSurfaceArea 105.17
Relative PSA 0.51735
PolarSurfaceArea 52.84
Drug-likeness -9.3404
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions acyl-halogenide type; Cl,Br,I on
Shape Index 0.71429
Molecula Flexibility 0.67635
Molecular Complexity 0.69315
Fragments 1
Non HAtoms 7
NonCHAtoms 7
Electronegative Atoms 7
Sp3Atoms 1
Symmetricatoms 1

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