6-Fluoro-3H-isobenzofuran-1-one - CAS 23932-84-5
Catalog: |
BB076920 |
Product Name: |
6-Fluoro-3H-isobenzofuran-1-one |
CAS: |
23932-84-5 |
Synonyms: |
6-Fluoroisobenzofuran-1(3H)-one; 1(3H)-Isobenzofuranone, 6-fluoro-; 6-fluoro-2-benzofuran-1(3H)-one; 6-Fluorophthalide; 6-fluoro-1(3H)-isobenzofuranone; 6-Fluoro-1,3-dihydro-2-benzofuran-1-one |
IUPAC Name: | 6-fluoro-3H-2-benzofuran-1-one |
Molecular Weight: | 152.12 |
Molecular Formula: | C8H5FO2 |
Canonical SMILES: | C1C2=C(C=C(C=C2)F)C(=O)O1 |
InChI: | InChI=1S/C8H5FO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2 |
InChI Key: | LRPVIFOWOOZXEW-UHFFFAOYSA-N |
Boiling Point: | 306.6±42.0°C (Predicted) |
Melting Point: | 111.5-112°C |
Purity: | ≥95% |
Density: | 1.379±0.06 g/cm3 (Predicted) |
Storage: | Store at RT |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.02735756 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.02735756 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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