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8-Fluoroquinolin-3-ol

CAT: 0926-LAC78449-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-LAC78449-01Size:250 mg
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CAS Number
1261784-49-9
MDL Number
MFCD18414602
Smiles
C1=CC2=CC (=CN=C2C (=C1) F) O
Molecular Formula
C9H6FNO
Molecular Weight
163.15 g/mol
Controlled
No

Chemical Information

8-Fluoroquinolin-3-ol
CAS Number1261784-49-9
PubChem CID68288067
IUPAC Name8-fluoroquinolin-3-ol
Molecular FormulaC9H6FNO
Molecular Weight163.15
XLogP1.8
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)F)O
InChI
InChI=1S/C9H6FNO/c10-8-3-1-2-6-4-7(12)5-11-9(6)8/h1-5,12H
InChIKey
CZUQMRPFJUOMDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Fluoroquinolin-3-ol
CAS: 1261784-49-9
CID: 68288067
Formula: C9H6FNO
MW: 163.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.15
XLogP31.8
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

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