| CAS Number | 1055995-87-3 |
| Catalog Number | AG01DTPT(AGN-PC-0HYM4Q) |
| Chemical Name | 4-bromo-N,N-diethyl-2-fluorobenzenesulfonamide |
| IUPAC Name | 4-bromo-N,N-diethyl-2-fluorobenzenesulfonamide |
| InChI | InChI=1S/C10H13BrFNO2S/c1-3-13(4-2)16(14,15)10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3 |
| InChI Key | JEFFMFZCMMUXTG-UHFFFAOYSA-N |
| MDL Number | MFCD32206274 |
| Molecular Formula | C10H13BrFNO2S |
| Molecular Weight | 310.1831 |
| SMILES | BrC1=CC(=C(C=C1)S(=O)(=O)N(CC)CC)F |
| Synonyms | 4-bromo-N,N-diethyl-2-fluorobenzenesulfonamide,
SCHEMBL3012009,
JEFFMFZCMMUXTG-UHFFFAOYSA-N,
1055995-87-3,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.181g/mol |
| Monoisotopic Mass | 308.983g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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