O-(Fluoromethyl)hydroxylamine--hydrogen chloride (1/1)

CAS Number: 126483-47-4
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NOCF.Cl
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: none
Formula
HCl.CH4NOF
Molecular Weight
65.0468
Drug-likeness
-3.31
CAS
126483-47-4
InChI key
MFNNOTDFLSMPRA-UHFFFAOYSA-N
SMILES
NOCF.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 126483-47-4
Molecule Name O-(Fluoromethyl)hydroxylamine--hydrogen chloride (1/1)
Molecular Formula HCl.CH4NOF
SMILES NOCF.Cl
InChI InChI=1S/CH4FNO.ClH/c2-1-4-3;/h1,3H2;1H
InChI Key MFNNOTDFLSMPRA-UHFFFAOYSA-N
CanonicalSyTyLFy 66e5dafc12db3148
TotalMolweight 101.508
Molecular Weight 65.0468
MonoisotopicMass 65.027692
CLogP -0.6011
CLogS -1.484
H Acceptors 2
H Donors 1
TotalSurfaceArea 52.13
Relative PSA 0.48475
PolarSurfaceArea 35.25
Drug-likeness -3.31
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.71082
Fragments 2
Non HAtoms 4
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Sp3Atoms 3

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