| CAS Number | 1091876-96-8 |
| Catalog Number | AG01EH9E(AGN-PC-3H45EL) |
| Chemical Name | Methyl 4-[(cyclopropylsulfamoyl)methyl]benzoate |
| IUPAC Name | methyl 4-(cyclopropylsulfamoylmethyl)benzoate |
| InChI | InChI=1S/C12H15NO4S/c1-17-12(14)10-4-2-9(3-5-10)8-18(15,16)13-11-6-7-11/h2-5,11,13H,6-8H2,1H3 |
| InChI Key | XFOUSBGLNDAQQR-UHFFFAOYSA-N |
| MDL Number | MFCD13894909 |
| Molecular Formula | C12H15NO4S |
| Molecular Weight | 269.3168 |
| SMILES | COC(=O)c1ccc(cc1)CS(=O)(=O)NC1CC1 |
| Synonyms | METHYL 4-[(CYCLOPROPYLSULFAMOYL)METHYL]BENZOATE,
1091876-96-8,
ZINC20042608,
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| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.315g/mol |
| Monoisotopic Mass | 269.072g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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