| CAS Number | 1097824-30-0 |
| Catalog Number | AG01B59K |
| Chemical Name | 1-[(2-bromoethyl)sulfanyl]-2,4-difluorobenzene |
| IUPAC Name | 1-(2-bromoethylsulfanyl)-2,4-difluorobenzene |
| InChI | InChI=1S/C8H7BrF2S/c9-3-4-12-8-2-1-6(10)5-7(8)11/h1-2,5H,3-4H2 |
| InChI Key | NHVQKUCIRCYMTB-UHFFFAOYSA-N |
| MDL Number | MFCD11642596 |
| Molecular Formula | C8H7BrF2S |
| Molecular Weight | 253.1070 |
| SMILES | FC1=CC(F)=C(SCCBr)C=C1 |
| Synonyms | 1-[(2-bromoethyl)sulfanyl]-2,4-difluorobenzene,
1097824-30-0,
ZINC37381742,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.105g/mol |
| Monoisotopic Mass | 251.942g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number