| CAS Number | 928708-57-0 |
| Catalog Number | AG00IHD9(AGN-PC-0WOKGT) |
| Chemical Name | Methyl 2-(N-ethylmethanesulfonamido)benzoate |
| IUPAC Name | methyl 2-[ethyl(methylsulfonyl)amino]benzoate |
| InChI | InChI=1S/C11H15NO4S/c1-4-12(17(3,14)15)10-8-6-5-7-9(10)11(13)16-2/h5-8H,4H2,1-3H3 |
| InChI Key | CLROIUFAUJYHFY-UHFFFAOYSA-N |
| MDL Number | MFCD08753097 |
| Molecular Formula | C11H15NO4S |
| Molecular Weight | 257.3061 |
| SMILES | COC(=O)c1ccccc1N(S(=O)(=O)C)CC |
| Synonyms | Methyl 2-(N-ethylmethanesulfonamido)benzoate,
928708-57-0,
methyl 2-(N-ethyl-methylsulfonylamino)benzoate,
ZINC8729456,
AKOS026673890,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.304g/mol |
| Monoisotopic Mass | 257.072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number