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8-Fluoroquinolin-5-ol

CAT: 0127-PC1004171-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1004171-01Size:50 mg
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CAS Number
1261845-15-1
Purity
97%
Smiles
OC1=C2C=CC=NC2=C(F)C=C1

Chemical Information

8-Fluoroquinolin-5-ol
CAS Number1261845-15-1
PubChem CID136727897
IUPAC Name8-fluoroquinolin-5-ol
Molecular FormulaC9H6FNO
Molecular Weight163.15
XLogP2.4
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity165
SMILES
C1=CC2=C(C=CC(=C2N=C1)F)O
InChI
InChI=1S/C9H6FNO/c10-7-3-4-8(12)6-2-1-5-11-9(6)7/h1-5,12H
InChIKey
LKIPMFLIZANNEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Fluoroquinolin-5-ol
CAS: 1261845-15-1
CID: 136727897
Formula: C9H6FNO
MW: 163.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.15
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass163.043341977
Monoisotopic Mass163.043341977
Topological Polar Surface Area33.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes