| CAS Number | 313497-39-1 |
| Catalog Number | AG01AND4(AGN-PC-0KUOIQ) |
| Chemical Name | ethyl 2-(2-nitrobenzenesulfonamido)acetate |
| IUPAC Name | ethyl 2-[(2-nitrophenyl)sulfonylamino]acetate |
| InChI | InChI=1S/C10H12N2O6S/c1-2-18-10(13)7-11-19(16,17)9-6-4-3-5-8(9)12(14)15/h3-6,11H,2,7H2,1H3 |
| InChI Key | GQRIPUXKGZZFRC-UHFFFAOYSA-N |
| MDL Number | MFCD00432508 |
| Molecular Formula | C10H12N2O6S |
| Molecular Weight | 288.2771 |
| SMILES | CCOC(CNS(C1=C([N+]([O-])=O)C=CC=C1)(=O)=O)=O |
| Synonyms | ETHYL 2-(2-NITROBENZENESULFONAMIDO)ACETATE,
ethyl 2-{[(2-nitrophenyl)sulfonyl]amino}acetate,
313497-39-1,
AC1MQN1Z,
SCHEMBL4644817,
GQRIPUXKGZZFRC-UHFFFAOYSA-N,
ZINC2024579,
STK024017,
AKOS001716105,
MCULE-9774085932,
ethyl N-[(2-nitrophenyl)sulfonyl]glycinate,
ST50686770,
ethyl 2-[(2-nitrophenyl)sulfonylamino]acetate,
ethyl 2-[(2-nitrobenzenesulfonyl)amino]acetate,
Z736630198,
ZINC02024579,
CID3454399,
|
| Complexity | 424 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.274g/mol |
| Monoisotopic Mass | 288.042g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number