| CAS Number | 1378787-78-0 |
| Catalog Number | AG01EHAA(AGN-PC-3H45FD) |
| Chemical Name | Methyl 4-[(dimethylsulfamoyl)methyl]benzoate |
| IUPAC Name | methyl 4-(dimethylsulfamoylmethyl)benzoate |
| InChI | InChI=1S/C11H15NO4S/c1-12(2)17(14,15)8-9-4-6-10(7-5-9)11(13)16-3/h4-7H,8H2,1-3H3 |
| InChI Key | RYKJTMJJSDMNIU-UHFFFAOYSA-N |
| MDL Number | MFCD20541713 |
| Molecular Formula | C11H15NO4S |
| Molecular Weight | 257.3061 |
| SMILES | COC(=O)c1ccc(cc1)CS(=O)(=O)N(C)C |
| Synonyms | METHYL 4-[(DIMETHYLSULFAMOYL)METHYL]BENZOATE,
1378787-78-0,
ZINC44849430,
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| Complexity | 350 |
| 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 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number