2-Fluoro-3-hydroxybenzonitrile

CAS Number: 1000339-24-1
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N#Cc1cccc(O)c1F
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H4NOF
Molecular Weight
137.113
Drug-likeness
-7.3916
CAS
1000339-24-1
InChI key
CVJVSXKZGFQWJK-UHFFFAOYSA-N
SMILES
N#Cc1cccc(O)c1F
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1000339-24-1
Molecule Name 2-Fluoro-3-hydroxybenzonitrile
Molecular Formula C7H4NOF
SMILES N#Cc1cccc(O)c1F
InChI InChI=1S/C7H4FNO/c8-7-5(4-9)2-1-3-6(7)10/h1-3,10H
InChI Key CVJVSXKZGFQWJK-UHFFFAOYSA-N
CanonicalSyTyLFy 4df2bf5f3cba4302
TotalMolweight 137.113
Molecular Weight 137.113
MonoisotopicMass 137.027692
CLogP 1.2503
CLogS -2.407
H Acceptors 2
H Donors 1
TotalSurfaceArea 107.67
Relative PSA 0.24761
PolarSurfaceArea 44.02
Drug-likeness -7.3916
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.6993
Fragments 1
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 1

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