| CAS Number | 339363-85-8 |
| Catalog Number | AG01B57F |
| Chemical Name | 1-[(2-Bromoethyl)sulfanyl]-4-fluorobenzene |
| IUPAC Name | 1-(2-bromoethylsulfanyl)-4-fluorobenzene |
| InChI | InChI=1S/C8H8BrFS/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2 |
| InChI Key | JQLPZBNYQCHXSI-UHFFFAOYSA-N |
| MDL Number | MFCD09944899 |
| Molecular Formula | C8H8BrFS |
| Molecular Weight | 235.1165 |
| SMILES | BrCCSC1=CC=C(C=C1)F |
| Synonyms | 1-[(2-BROMOETHYL)SULFANYL]-4-FLUOROBENZENE,
339363-85-8,
ZINC19505251,
AKOS000190998,
|
| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.114g/mol |
| Monoisotopic Mass | 233.951g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number