| CAS Number | 1541305-10-5 |
| Catalog Number | AG01B7XC |
| Chemical Name | 1-bromo-2-fluoro-3-methanesulfonylbenzene |
| IUPAC Name | 1-bromo-2-fluoro-3-methylsulfonylbenzene |
| InChI | InChI=1S/C7H6BrFO2S/c1-12(10,11)6-4-2-3-5(8)7(6)9/h2-4H,1H3 |
| InChI Key | KUFSPHSKMPOPCE-UHFFFAOYSA-N |
| MDL Number | MFCD26687709 |
| Molecular Formula | C7H6BrFO2S |
| Molecular Weight | 253.0887 |
| SMILES | BrC1=C(C(=CC=C1)S(=O)(=O)C)F |
| Synonyms | 1-bromo-2-fluoro-3-methanesulfonylbenzene,
1541305-10-5,
ZINC75915375,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.085g/mol |
| Monoisotopic Mass | 251.926g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number