| CAS Number | 135774-34-4 |
| Catalog Number | AG009XD2(AGN-PC-003PX1) |
| Chemical Name | 1-(2-Bromophenyl)-2-fluoroethanone |
| IUPAC Name | 1-(2-bromophenyl)-2-fluoroethanone |
| InChI | InChI=1S/C8H6BrFO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4H,5H2 |
| InChI Key | NYUJOUGJDWFFOY-UHFFFAOYSA-N |
| MDL Number | MFCD13173316 |
| Molecular Formula | C8H6BrFO |
| Molecular Weight | 217.0350 |
| SMILES | FCC(C1=C(Br)C=CC=C1)=O |
| Synonyms | 135774-34-4,
1-(2-Bromophenyl)-2-fluoroethanone,
1-(2-BROMOPHENYL)-2-FLUORO-ETHANONE,
Ethanone, 1-(2-bromophenyl)-2-fluoro- (9CI),
o-Bromo-alpha-fluoroacetophenone,
SCHEMBL12430466,
DTXSID50568105,
1-(2-Bromophenyl)-2-fluoroethan-1-one,
AJ-97703,
Ethanone,1- -2-fluoro-,
|
| 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