| CAS Number | 363587-67-1 |
| Catalog Number | AG00CJVE(AGN-PC-0WOI5I) |
| Chemical Name | N-tert-Butyl-2-nitrobenzenesulfonamide |
| IUPAC Name | N-tert-butyl-2-nitrobenzenesulfonamide |
| InChI | InChI=1S/C10H14N2O4S/c1-10(2,3)11-17(15,16)9-7-5-4-6-8(9)12(13)14/h4-7,11H,1-3H3 |
| InChI Key | OZVQKJSICMYVSR-UHFFFAOYSA-N |
| MDL Number | MFCD00450577 |
| Molecular Formula | C10H14N2O4S |
| Molecular Weight | 258.2942 |
| SMILES | [O-][N+](=O)c1ccccc1S(=O)(=O)NC(C)(C)C |
| Synonyms | N-tert-butyl-2-nitrobenzenesulfonamide,
363587-67-1,
N-(tert-Butyl)-2-nitrobenzenesulfonamide,
AC1LF17M,
Cambridge id 5116322,
Oprea1_186630,
CBDivE_002313,
SCHEMBL13026218,
ZINC187093,
MFCD00450577,
AKOS003041350,
MCULE-7759022003,
(tert-butyl)[(2-nitrophenyl)sulfonyl]amine,
ST51015431,
N-tert-Butyl-2-nitrobenzenesulfonaMide, 97%,
SR-01000196050,
SR-01000196050-1,
CID745202,
ZINC00187093,
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| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.292g/mol |
| Monoisotopic Mass | 258.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number