6-fluoro-3-hydroxyisobenzofuran-1(3H)-one - CAS 105398-58-1
Catalog: |
BB054717 |
Product Name: |
6-fluoro-3-hydroxyisobenzofuran-1(3H)-one |
CAS: |
105398-58-1 |
Synonyms: |
6-fluoro-3-hydroxyisobenzofuran-1(3H)-one |
IUPAC Name: | 6-fluoro-3-hydroxy-3H-2-benzofuran-1-one |
Molecular Weight: | 168.12 |
Molecular Formula: | C8H5FO3 |
Canonical SMILES: | C1=CC2=C(C=C1F)C(=O)OC2O |
InChI: | InChI=1S/C8H5FO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3,7,10H |
InChI Key: | PZIAMZVABBTWEZ-UHFFFAOYSA-N |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.02227218 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.02227218 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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