| CAS Number | 1423037-38-0 |
| Catalog Number | AG009WWO |
| Chemical Name | 4-Bromo-2-ethoxy-1-methanesulfonylbenzene |
| IUPAC Name | 4-bromo-2-ethoxy-1-methylsulfonylbenzene |
| InChI | InChI=1S/C9H11BrO3S/c1-3-13-8-6-7(10)4-5-9(8)14(2,11)12/h4-6H,3H2,1-2H3 |
| InChI Key | XWRFYPHIYNCMQL-UHFFFAOYSA-N |
| MDL Number | MFCD23135974 |
| Molecular Formula | C9H11BrO3S |
| Molecular Weight | 279.1508 |
| SMILES | CCOc1cc(Br)ccc1S(=O)(=O)C |
| Synonyms | 4-Bromo-2-ethoxy-1-methanesulfonylbenzene,
1423037-38-0,
C9H11BrO3S,
ZINC95496109,
AKOS026673360,
V3192,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.148g/mol |
| Monoisotopic Mass | 277.961g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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