(2,3-Difluorophenyl)hydrazine

CAS Number: 116681-58-4
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NNc1cccc(F)c1F
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C6H6N2F2
Molecular Weight
144.124
Drug-likeness
-5.6624
CAS
116681-58-4
InChI key
KUZSKMQWYVHGFE-UHFFFAOYSA-N
SMILES
NNc1cccc(F)c1F
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 116681-58-4
Molecule Name (2,3-Difluorophenyl)hydrazine
Molecular Formula C6H6N2F2
SMILES NNc1cccc(F)c1F
InChI InChI=1S/C6H6F2N2/c7-4-2-1-3-5(10-9)6(4)8/h1-3,10H,9H2
InChI Key KUZSKMQWYVHGFE-UHFFFAOYSA-N
CanonicalSyTyLFy 54ec4501f092f869
TotalMolweight 144.124
Molecular Weight 144.124
MonoisotopicMass 144.049904
CLogP 1.8237
CLogS -2.038
H Acceptors 2
H Donors 2
TotalSurfaceArea 105.94
Relative PSA 0.25231
PolarSurfaceArea 38.05
Drug-likeness -5.6624
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.6
Molecula Flexibility 0.017819
Molecular Complexity 0.68024
Fragments 1
Non HAtoms 10
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1

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