| CAS Number | 60781-34-2 |
| Catalog Number | AG00IAQX(AGN-PC-0K6LNB) |
| Chemical Name | Ethyl 2-(2-Nitrophenylsulfonyl)acetate |
| IUPAC Name | ethyl 2-(2-nitrophenyl)sulfonylacetate |
| InChI | InChI=1S/C10H11NO6S/c1-2-17-10(12)7-18(15,16)9-6-4-3-5-8(9)11(13)14/h3-6H,2,7H2,1H3 |
| InChI Key | DMXPRADLFJAOON-UHFFFAOYSA-N |
| MDL Number | MFCD02976182 |
| Molecular Formula | C10H11NO6S |
| Molecular Weight | 273.2624 |
| SMILES | CCOC(=O)CS(=O)(=O)c1ccccc1[N+](=O)[O-] |
| Synonyms | 60781-34-2,
ethyl [(2-nitrophenyl)sulfonyl]acetate,
Ethyl 2-(2-nitrophenylsulfonyl)acetate,
Ethyl 2-((2-nitrophenyl)sulfonyl)acetate,
Acetic acid, [(2-nitrophenyl)sulfonyl]-, ethyl ester,
Ethyl 2-(2-nitrophenyl)sulfonylacetate,
AC1LTZS0,
CTK1I9919,
DTXSID80364253,
ZINC1475691,
BBL007016,
MFCD02976182,
STL133455,
AKOS003632923,
MCULE-7993293907,
H6663,
CID1543589,
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| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.259g/mol |
| Monoisotopic Mass | 273.031g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number