| CAS Number | 23530-41-8 |
| Catalog Number | AG002NLK(AGN-PC-0JVSS5) |
| Chemical Name | N-Ethyl-2-nitrobenzene-1-sulfonamide |
| IUPAC Name | N-ethyl-2-nitrobenzenesulfonamide |
| InChI | InChI=1S/C8H10N2O4S/c1-2-9-15(13,14)8-6-4-3-5-7(8)10(11)12/h3-6,9H,2H2,1H3 |
| InChI Key | MQOIFAQSYCSLRF-UHFFFAOYSA-N |
| MDL Number | MFCD00458269 |
| Molecular Formula | C8H10N2O4S |
| Molecular Weight | 230.2410 |
| SMILES | O=S(C1=CC=CC=C1[N+]([O-])=O)(NCC)=O |
| Synonyms | N-ethyl-2-nitrobenzenesulfonamide,
23530-41-8,
N-Ethyl-2-nitrobenzene-1-sulfonamide,
Benzenesulfonamide, N-ethyl-2-nitro-,
AC1LF05I,
SCHEMBL2126962,
CTK0J5579,
DTXSID40353542,
MQOIFAQSYCSLRF-UHFFFAOYSA-N,
N-ethyl-2-nitrobenzene-sulfonamide,
ZINC186133,
MFCD00458269,
AKOS003835713,
MCULE-6084789967,
CID744706,
ZINC00186133,
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| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.238g/mol |
| Monoisotopic Mass | 230.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 100A^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