O-(2-Fluoroethyl)hydroxylamine--hydrogen chloride (1/1)

CAS Number: 95068-26-1
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NOCCF.Cl
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: none
Formula
HCl.C2H6NOF
Molecular Weight
79.0736
Drug-likeness
-3.3915
CAS
95068-26-1
InChI key
CVYMUNLGOIKMCG-UHFFFAOYSA-N
SMILES
NOCCF.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 95068-26-1
Molecule Name O-(2-Fluoroethyl)hydroxylamine--hydrogen chloride (1/1)
Molecular Formula HCl.C2H6NOF
SMILES NOCCF.Cl
InChI InChI=1S/C2H6FNO.ClH/c3-1-2-5-4;/h1-2,4H2;1H
InChI Key CVYMUNLGOIKMCG-UHFFFAOYSA-N
CanonicalSyTyLFy e7230142b8b211f5
TotalMolweight 115.535
Molecular Weight 79.0736
MonoisotopicMass 79.043342
CLogP -0.6205
CLogS -0.955
H Acceptors 2
H Donors 1
TotalSurfaceArea 65.89
Relative PSA 0.38352
PolarSurfaceArea 35.25
Drug-likeness -3.3915
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.75817
Molecular Complexity 0.54931
Fragments 2
Non HAtoms 5
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Sp3Atoms 4

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