| CAS Number | 1094467-66-9 |
| Catalog Number | AG01EHAF(AGN-PC-3H45FM) |
| Chemical Name | Methyl 4-[(Ethylsulfamoyl)methyl]benzoate |
| IUPAC Name | methyl 4-(ethylsulfamoylmethyl)benzoate |
| InChI | InChI=1S/C11H15NO4S/c1-3-12-17(14,15)8-9-4-6-10(7-5-9)11(13)16-2/h4-7,12H,3,8H2,1-2H3 |
| InChI Key | WDTMRUCNYNDJIO-UHFFFAOYSA-N |
| MDL Number | MFCD11618962 |
| Molecular Formula | C11H15NO4S |
| Molecular Weight | 257.3061 |
| SMILES | CCNS(=O)(=O)Cc1ccc(cc1)C(=O)OC |
| Synonyms | METHYL 4-[(ETHYLSULFAMOYL)METHYL]BENZOATE,
1094467-66-9,
ZINC30861356,
AKOS009385874,
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| Complexity | 339 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.304g/mol |
| Monoisotopic Mass | 257.072g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number