| CAS Number | 1325065-26-6 |
| Catalog Number | AG01BF71 |
| Chemical Name | 1-[(2-Methoxy-5-nitrobenzene)sulfonyl]pyrrolidine |
| IUPAC Name | 1-(2-methoxy-5-nitrophenyl)sulfonylpyrrolidine |
| InChI | InChI=1S/C11H14N2O5S/c1-18-10-5-4-9(13(14)15)8-11(10)19(16,17)12-6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3 |
| InChI Key | HZOLXAZFSIJXGC-UHFFFAOYSA-N |
| MDL Number | MFCD17572904 |
| Molecular Formula | C11H14N2O5S |
| Molecular Weight | 286.3043 |
| SMILES | COC1=C(S(N2CCCC2)(=O)=O)C=C([N+]([O-])=O)C=C1 |
| Synonyms | 1325065-26-6,
1-(2-methoxy-5-nitrobenzenesulfonyl)pyrrolidine,
1-[(2-Methoxy-5-nitrobenzene)sulfonyl]pyrrolidine,
ZINC30493500,
AKOS008565611,
MCULE-6958359937,
Z31131437,
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| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.302g/mol |
| Monoisotopic Mass | 286.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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