| CAS Number | 716360-58-6 |
| Catalog Number | AG019YNX |
| Chemical Name | 5-(Tert-butylsulfamoyl)-2-chlorobenzoic acid |
| IUPAC Name | 5-(tert-butylsulfamoyl)-2-chlorobenzoic acid |
| InChI | InChI=1S/C11H14ClNO4S/c1-11(2,3)13-18(16,17)7-4-5-9(12)8(6-7)10(14)15/h4-6,13H,1-3H3,(H,14,15) |
| InChI Key | OAIIGYWJPJDWMF-UHFFFAOYSA-N |
| MDL Number | MFCD11521655 |
| Molecular Formula | C11H14ClNO4S |
| Molecular Weight | 291.7512 |
| SMILES | CC(NS(C1=CC(C(O)=O)=C(Cl)C=C1)(=O)=O)(C)C |
| Synonyms | 5-(tert-butylsulfamoyl)-2-chlorobenzoic acid,
716360-58-6,
SCHEMBL3524423,
OAIIGYWJPJDWMF-UHFFFAOYSA-N,
ZINC13340381,
AKOS005853503,
MCULE-9036412434,
NE32170,
Z53036735,
2-chloro-5-{[(1,1-dimethylethyl)amino]sulfonyl}benzoic acid,
|
| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.746g/mol |
| Monoisotopic Mass | 291.033g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number