| CAS Number | 683276-63-3 |
| Catalog Number | AG01DII3(AGN-PC-0OGJGD) |
| Chemical Name | (S)-(2-Methyloxiran-2-Yl)Methyl 4-Nitrobenzenesulfonate |
| IUPAC Name | [(2S)-2-methyloxiran-2-yl]methyl 4-nitrobenzenesulfonate |
| InChI | InChI=1S/C10H11NO6S/c1-10(6-16-10)7-17-18(14,15)9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3/t10-/m0/s1 |
| InChI Key | NXRMOVSGORLBCA-JTQLQIEISA-N |
| MDL Number | MFCD11111916 |
| Molecular Formula | C10H11NO6S |
| Molecular Weight | 273.2624 |
| SMILES | [N+](=O)([O-])C1=CC=C(C=C1)S(=O)(=O)OC[C@]1(OC1)C |
| Synonyms | (S)-(2-Methyloxiran-2-yl)methyl 4-nitrobenzenesulfonate,
683276-63-3,
SCHEMBL59929,
MFCD11111916,
AKOS030628000,
N/A,
|
| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 4 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number