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6-Fluoro-2,4-Dihydroxyquinoline

CAT: 0127-PC105291-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC105291-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1677-37-8
Purity
97%
Smiles
Oc1cc(O)c2cc(F)ccc2n1

Chemical Information

6-Fluoro-4-hydroxyquinolin-2(1H)-one
CAS Number1677-37-8
PubChem CID54726805
IUPAC Name6-fluoro-4-hydroxy-1H-quinolin-2-one
Molecular FormulaC9H6FNO2
Molecular Weight179.15
XLogP0.8
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity264
SMILES
C1=CC2=C(C=C1F)C(=CC(=O)N2)O
InChI
InChI=1S/C9H6FNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-4H,(H2,11,12,13)
InChIKey
ZFBAAIYKVIMWHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Fluoro-4-hydroxyquinolin-2(1H)-one
CAS: 1677-37-8
CID: 54726805
Formula: C9H6FNO2
MW: 179.15
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.15
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass179.03825660
Monoisotopic Mass179.03825660
Topological Polar Surface Area49.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity264
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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