| CAS Number | 1771023-89-2 |
| Catalog Number | AG01DTFL |
| Chemical Name | 4-(4-bromo-2-fluorophenylsulfonyl)thiomorpholine |
| IUPAC Name | 4-(4-bromo-2-fluorophenyl)sulfonylthiomorpholine |
| InChI | InChI=1S/C10H11BrFNO2S2/c11-8-1-2-10(9(12)7-8)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6H2 |
| InChI Key | IICFQEAQMJLVOE-UHFFFAOYSA-N |
| MDL Number | MFCD27824853 |
| Molecular Formula | C10H11BrFNO2S2 |
| Molecular Weight | 340.2322 |
| SMILES | BrC1=CC(=C(C=C1)S(=O)(=O)N1CCSCC1)F |
| Synonyms | 4-(4-bromo-2-fluorophenylsulfonyl)thiomorpholine,
1771023-89-2,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.225g/mol |
| Monoisotopic Mass | 338.94g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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