(2-Chloro-6-fluoro-benzyl)-hydrazine

CAS Number: 883546-66-5
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NNCc(c(F)ccc1)c1Cl
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
C7H8N2ClF
Molecular Weight
174.606
Drug-likeness
-4.9416
CAS
883546-66-5
InChI key
NKFCYZBTEJQTNX-UHFFFAOYSA-N
SMILES
NNCc(c(F)ccc1)c1Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 883546-66-5
Molecule Name (2-Chloro-6-fluoro-benzyl)-hydrazine
Molecular Formula C7H8N2ClF
SMILES NNCc(c(F)ccc1)c1Cl
InChI InChI=1S/C7H8ClFN2/c8-6-2-1-3-7(9)5(6)4-11-10/h1-3,11H,4,10H2
InChI Key NKFCYZBTEJQTNX-UHFFFAOYSA-N
CanonicalSyTyLFy 620ad4e98623f1f8
TotalMolweight 174.606
Molecular Weight 174.606
MonoisotopicMass 174.036003
CLogP 0.6072
CLogS -2.903
H Acceptors 2
H Donors 2
TotalSurfaceArea 128.77
Relative PSA 0.20758
PolarSurfaceArea 38.05
Drug-likeness -4.9416
Mutagenic low
Tumorigenic high
Reproductive Effective low
Irritant none
Nasty Functions hydrazine
Shape Index 0.63636
Molecula Flexibility 0.48032
Molecular Complexity 0.73271
Fragments 1
Non HAtoms 11
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3

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