6-Fluoro-3,3-dimethyl-2,3-dihydro-isoindol-1-one - CAS 1440519-93-6
Catalog: |
BB056084 |
Product Name: |
6-Fluoro-3,3-dimethyl-2,3-dihydro-isoindol-1-one |
CAS: |
1440519-93-6 |
Synonyms: |
6-FLUORO-3,3-DIMETHYLISOINDOLIN-1-ONE; 6-fluoro-3,3-dimethyl-2H-isoindol-1-one; 6-Fluoro-3,3-dimethyl-2,3-dihydro-isoindol-1-one; 6-Fluoro-2,3-dihydro-3,3-dimethyl-1H-isoindol-1-one |
IUPAC Name: | 6-fluoro-3,3-dimethyl-2H-isoindol-1-one |
Molecular Weight: | 179.19 |
Molecular Formula: | C10H10FNO |
Canonical SMILES: | CC1(C2=C(C=C(C=C2)F)C(=O)N1)C |
InChI: | InChI=1S/C10H10FNO/c1-10(2)8-4-3-6(11)5-7(8)9(13)12-10/h3-5H,1-2H3,(H,12,13) |
InChI Key: | JAJYBBIBKMDZAN-UHFFFAOYSA-N |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.074642105 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.074642105 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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