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5-Fluoroquinolin-8-ol hydrobromide

CAT: 0926-JBD31185-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-JBD31185-01Size:250 mg
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CAS Number
1909311-85-8
MDL Number
MFCD29907081
Smiles
C1=CC2=C (C=CC (=C2N=C1) O) F.Br
Molecular Formula
C9H7BrFNO
Molecular Weight
244.06 g/mol
Controlled
No

Chemical Information

5-Fluoroquinolin-8-ol hydrobromide
CAS Number1909311-85-8
PubChem CID122156715
IUPAC Name5-fluoroquinolin-8-ol;hydrobromide
Molecular FormulaC9H7BrFNO
Molecular Weight244.06
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity165
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)F.Br
InChI
InChI=1S/C9H6FNO.BrH/c10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h1-5,12H;1H
InChIKey
QUSWBKIESQHYLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoroquinolin-8-ol hydrobromide
CAS: 1909311-85-8
CID: 122156715
Formula: C9H7BrFNO
MW: 244.06
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight244.06
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass242.96950
Monoisotopic Mass242.96950
Topological Polar Surface Area33.1 Ų
Heavy Atom Count13
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 Count2
Compound Is CanonicalizedYes