| CAS Number | 1359829-72-3 |
| Catalog Number | AG009F3I(AGN-PC-0WOYXW) |
| Chemical Name | 2-Bromo-1-cyclopropyl-2-(3-fluorophenyl)ethanone |
| IUPAC Name | 2-bromo-1-cyclopropyl-2-(3-fluorophenyl)ethanone |
| InChI | InChI=1S/C11H10BrFO/c12-10(11(14)7-4-5-7)8-2-1-3-9(13)6-8/h1-3,6-7,10H,4-5H2 |
| InChI Key | ZHVUFLFRLOORRQ-UHFFFAOYSA-N |
| MDL Number | MFCD21496675 |
| Molecular Formula | C11H10BrFO |
| Molecular Weight | 257.0989 |
| SMILES | Fc1cccc(c1)C(Br)C(=O)C2CC2 |
| Synonyms | 1359829-72-3,
2-bromo-1-cyclopropyl-2-(3-fluorophenyl)ethanone,
SCHEMBL571443,
ETH107,
Prasugrel Impurity 7 (3-F-PM-A),
Ethanone, 2-bromo-1-cyclopropyl-2-(3-fluorophenyl)-,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.102g/mol |
| Monoisotopic Mass | 255.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number