| CAS Number | 1000068-42-7 |
| Catalog Number | AG0095JW(AGN-PC-09TBD6) |
| Chemical Name | 4-(4-bromo-2-fluorobenzenesulfonyl)morpholine |
| IUPAC Name | 4-(4-bromo-2-fluorophenyl)sulfonylmorpholine |
| InChI | InChI=1S/C10H11BrFNO3S/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 | BQYQHCWRUSXGLN-UHFFFAOYSA-N |
| MDL Number | MFCD27392030 |
| Molecular Formula | C10H11BrFNO3S |
| Molecular Weight | 324.1666 |
| SMILES | c1cc(c(cc1Br)F)S(=O)(=O)N2CCOCC2 |
| Synonyms | 4-((4-bromo-2-fluorophenyl)sulfonyl)morpholine,
1000068-42-7,
SCHEMBL2935769,
DTXSID20702296,
ZINC144603270,
AM86180,
4-(4-bromo-2-fluorophenylsulfonyl)morpholine,
4-(4-Bromo-2-fluorobenzene-1-sulfonyl)morpholine,
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| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.164g/mol |
| Monoisotopic Mass | 322.963g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number