Cyclopropyl 3-Fluorobenzyl Ketone - CAS 952722-64-4
Catalog: |
BB068974 |
Product Name: |
Cyclopropyl 3-Fluorobenzyl Ketone |
CAS: |
952722-64-4 |
Synonyms: |
1-Cyclopropyl-2-(3-fluorophenyl)ethanone; Prasugrel Impurity |
IUPAC Name: | 1-cyclopropyl-2-(3-fluorophenyl)ethanone |
Description: | A cyclopropyl ethanone derivative, used in the preparation of m-Fluoro Prasugrel (F595870). |
Molecular Weight: | 178.2 |
Molecular Formula: | C11H11FO |
Canonical SMILES: | C1CC1C(=O)CC2=CC(=CC=C2)F |
InChI: | InChI=1S/C11H11FO/c12-10-3-1-2-8(6-10)7-11(13)9-4-5-9/h1-3,6,9H,4-5,7H2 |
InChI Key: | XYLIJFPNHKJLCB-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Appearance: | Colourless to Yellow Oil |
Storage: | Refrigerator |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.079393132 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.079393132 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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