| CAS Number | 1094750-93-2 |
| Catalog Number | AG01EHA3(AGN-PC-3H45FB) |
| Chemical Name | 4-[(Isopropylsulfamoyl)methyl]benzoic Acid |
| IUPAC Name | 4-(propan-2-ylsulfamoylmethyl)benzoic acid |
| InChI | InChI=1S/C11H15NO4S/c1-8(2)12-17(15,16)7-9-3-5-10(6-4-9)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14) |
| InChI Key | ILOFZJUPNRSFRM-UHFFFAOYSA-N |
| MDL Number | MFCD11649770 |
| Molecular Formula | C11H15NO4S |
| Molecular Weight | 257.3061 |
| SMILES | CC(NS(=O)(=O)Cc1ccc(cc1)C(=O)O)C |
| Synonyms | 4-[(Isopropylsulfamoyl)methyl]benzoic acid,
1094750-93-2,
AKOS005925949,
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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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.304g/mol |
| Monoisotopic Mass | 257.072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number