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6-Fluoro-4-hydroxycoumarin

CAT: 0024-sc-227079Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-227079Size:5 g
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CAS Number
1994-13-4

Chemical Information

6-Fluoro-4-hydroxycoumarin
CAS Number1994-13-4
PubChem CID54691406
IUPAC Name6-fluoro-4-hydroxychromen-2-one
Molecular FormulaC9H5FO3
Molecular Weight180.13
XLogP1.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity262
SMILES
C1=CC2=C(C=C1F)C(=CC(=O)O2)O
InChI
InChI=1S/C9H5FO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
InChIKey
JCOYNGQUPPGRNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Fluoro-4-hydroxycoumarin
CAS: 1994-13-4
CID: 54691406
Formula: C9H5FO3
MW: 180.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.13
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass180.02227218
Monoisotopic Mass180.02227218
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity262
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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Alternative Products

CatalogName
234703-016-Fluoro-4-hydroxycoumarin
438580-016-Fluoro-4-hydroxycoumarin discontinued. See 234703
266160-016-Bromo-4-hydroxycoumarin
275749-016-Ethyl-4-hydroxycoumarin
OR351007-016-Chloro-4-hydroxycoumarin
FM12567-016-Methyl-4-hydroxycoumarin
TBW003186-Hydroxycoumarin

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