| CAS Number | 1250021-16-9 |
| Catalog Number | AG01AI9B(AGN-PC-0WOLQX) |
| Chemical Name | 1-(2-Bromo-4-fluorophenyl)propan-2-one |
| IUPAC Name | 1-(2-bromo-4-fluorophenyl)propan-2-one |
| InChI | InChI=1S/C9H8BrFO/c1-6(12)4-7-2-3-8(11)5-9(7)10/h2-3,5H,4H2,1H3 |
| InChI Key | NOUVOMJCKOALKS-UHFFFAOYSA-N |
| MDL Number | MFCD16819740 |
| Molecular Formula | C9H8BrFO |
| Molecular Weight | 231.0616 |
| SMILES | CC(CC1=C(Br)C=C(F)C=C1)=O |
| Synonyms | 1-(2-bromo-4-fluorophenyl)propan-2-one,
1250021-16-9,
1-(2-bromo-4-fluorophenyl)-2-propanone,
SCHEMBL157139,
NOUVOMJCKOALKS-UHFFFAOYSA-N,
ZINC53765726,
AKOS011913907,
MCULE-5178200142,
EN300-77087,
Z1696823008,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.064g/mol |
| Monoisotopic Mass | 229.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number