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3-Fluoroquinolin-8-ol

CAT: 0127-PC102079-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC102079-01Size:100 mg
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CAS Number
142363-59-5
MDL Number
MFCD18414585
Purity
97%
Smiles
C1=CC2=CC(=CN=C2C(=C1)O)F

Chemical Information

3-Fluoroquinolin-8-OL
CAS Number142363-59-5
PubChem CID71743010
IUPAC Name3-fluoroquinolin-8-ol
Molecular FormulaC9H6FNO
Molecular Weight163.15
XLogP2.1
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=CC(=CN=C2C(=C1)O)F
InChI
InChI=1S/C9H6FNO/c10-7-4-6-2-1-3-8(12)9(6)11-5-7/h1-5,12H
InChIKey
YPZUUMHSIYTYEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Fluoroquinolin-8-OL
CAS: 142363-59-5
CID: 71743010
Formula: C9H6FNO
MW: 163.15
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight163.15
XLogP32.1
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