4-Chloro-7-fluoro-1H-indazole

CAS Number: 1000341-84-3
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Fc(cc1)c2[nH]ncc2c1Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H4N2ClF
Molecular Weight
170.574
Drug-likeness
1.0445
CAS
1000341-84-3
InChI key
CFAUCJBWYPTFBJ-UHFFFAOYSA-N
SMILES
Fc(cc1)c2[nH]ncc2c1Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1000341-84-3
Molecule Name 4-Chloro-7-fluoro-1H-indazole
Molecular Formula C7H4N2ClF
SMILES Fc(cc1)c2[nH]ncc2c1Cl
InChI InChI=1S/C7H4ClFN2/c8-5-1-2-6(9)7-4(5)3-10-11-7/h1-3H,(H,10,11)
InChI Key CFAUCJBWYPTFBJ-UHFFFAOYSA-N
CanonicalSyTyLFy e911adb9ad50c3f4
TotalMolweight 170.574
Molecular Weight 170.574
MonoisotopicMass 170.004703
CLogP 1.5769
CLogS -2.74
H Acceptors 2
H Donors 1
TotalSurfaceArea 117.96
Relative PSA 0.2116
PolarSurfaceArea 28.68
Drug-likeness 1.0445
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.54545
Molecular Complexity 0.76585
Fragments 1
Non HAtoms 11
NonCHAtoms 4
Electronegative Atoms 4
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Aromatic Nitrogens 2

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