| CAS Number | 702672-93-3 |
| Catalog Number | AG01FBEX(AGN-PC-3H58PB) |
| Chemical Name | 2-Chloro-4-methanesulfonyl-benzoic acid ethyl ester |
| IUPAC Name | ethyl 2-chloro-4-methylsulfonylbenzoate |
| InChI | InChI=1S/C10H11ClO4S/c1-3-15-10(12)8-5-4-7(6-9(8)11)16(2,13)14/h4-6H,3H2,1-2H3 |
| InChI Key | UTPHXWLIJYXYMJ-UHFFFAOYSA-N |
| MDL Number | MFCD06205215 |
| Molecular Formula | C10H11ClO4S |
| Molecular Weight | 262.7099 |
| SMILES | CCOC(=O)c1ccc(cc1Cl)S(=O)(=O)C |
| Synonyms | Ethyl 2-chloro-4-(methylsulfonyl)-benzoate,
702672-93-3,
2-chloro-4-(methylsulfonyl)-benzoic acid ethyl ester,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.704g/mol |
| Monoisotopic Mass | 262.007g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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