2-[(1S,2S)-2-Fluorocyclopentyl]-isoindole-1,3-dione - CAS 223761-83-9
Catalog: |
BB063384 |
Product Name: |
2-[(1S,2S)-2-Fluorocyclopentyl]-isoindole-1,3-dione |
CAS: |
223761-83-9 |
Synonyms: |
2-[(1S,2S)-2-Fluorocyclopentyl]-1H-isoindole-1,3(2H)-dione |
IUPAC Name: | 2-[(1S,2S)-2-fluorocyclopentyl]isoindole-1,3-dione |
Description: | Used in the preparation of adenosine A1 receptors. |
Molecular Weight: | 233.24 |
Molecular Formula: | C13H12FNO2 |
Canonical SMILES: | C1CC(C(C1)F)N2C(=O)C3=CC=CC=C3C2=O |
InChI: | InChI=1S/C13H12FNO2/c14-10-6-3-7-11(10)15-12(16)8-4-1-2-5-9(8)13(15)17/h1-2,4-5,10-11H,3,6-7H2/t10-,11-/m0/s1 |
InChI Key: | CBVCQKFZRIJARM-QWRGUYRKSA-N |
Solubility: | Dichloromethane, Ethanol, Ethyl Acetate, Methanol |
Appearance: | Off-white Solid |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.08520679 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.08520679 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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