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6-Fluoro-8-methoxyquinoline

CAT: 0127-PC901942-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC901942-01Size:1 g
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CAS Number
887769-92-8
MDL Number
MFCD15143547
Purity
97%
Smiles
COc1cc(F)cc2cccnc12

Chemical Information

6-Fluoro-8-methoxyquinoline
CAS Number887769-92-8
PubChem CID53216838
IUPAC Name6-fluoro-8-methoxyquinoline
Molecular FormulaC10H8FNO
Molecular Weight177.17
XLogP2.1
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity176
SMILES
COC1=C2C(=CC(=C1)F)C=CC=N2
InChI
InChI=1S/C10H8FNO/c1-13-9-6-8(11)5-7-3-2-4-12-10(7)9/h2-6H,1H3
InChIKey
IVYOPIDOROTJGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Fluoro-8-methoxyquinoline
CAS: 887769-92-8
CID: 53216838
Formula: C10H8FNO
MW: 177.17
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.17
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass177.058992041
Monoisotopic Mass177.058992041
Topological Polar Surface Area22.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity176
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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