| CAS Number | 1219632-64-0 |
| Catalog Number | AG01AF5O |
| Chemical Name | 1-(3-bromophenyl)-2-fluoroethan-1-one |
| IUPAC Name | 1-(3-bromophenyl)-2-fluoroethanone |
| InChI | InChI=1S/C8H6BrFO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4H,5H2 |
| InChI Key | DJJUHIWEAHUSHT-UHFFFAOYSA-N |
| MDL Number | MFCD28334485 |
| Molecular Formula | C8H6BrFO |
| Molecular Weight | 217.035 |
| SMILES | FCC(C1=CC(Br)=CC=C1)=O |
| Synonyms | 1-(3-bromophenyl)-2-fluoroethan-1-one,
1219632-64-0,
SCHEMBL244595,
5'-Bromo-2-fluoroacetophenone,
DJJUHIWEAHUSHT-UHFFFAOYSA-N,
1-(3-bromophenyl)-2-fluoroethanone,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.037g/mol |
| Monoisotopic Mass | 215.959g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number