| CAS Number | 1558100-87-0 |
| Catalog Number | AG01C1T4 |
| Chemical Name | 3-(4-bromo-2-fluorophenyl)cyclobutan-1-one |
| IUPAC Name | 3-(4-bromo-2-fluorophenyl)cyclobutan-1-one |
| InChI | InChI=1S/C10H8BrFO/c11-7-1-2-9(10(12)5-7)6-3-8(13)4-6/h1-2,5-6H,3-4H2 |
| InChI Key | JPGAWUMXWGBPJV-UHFFFAOYSA-N |
| MDL Number | MFCD24342204 |
| Molecular Formula | C10H8BrFO |
| Molecular Weight | 243.0723 |
| SMILES | FC1=C(C2CC(=O)C2)C=CC(Br)=C1 |
| Synonyms | 3-(4-bromo-2-fluorophenyl)cyclobutan-1-one,
1558100-87-0,
AKOS021293598,
ZINC132326765,
Z2238934692,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.075g/mol |
| Monoisotopic Mass | 241.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number