1-(2-Methanesulfonyl-5-nitrophenyl)pyrrolidine - CAS 1437794-78-9
Catalog: |
BB063713 |
Product Name: |
1-(2-Methanesulfonyl-5-nitrophenyl)pyrrolidine |
CAS: |
1437794-78-9 |
Synonyms: |
1-(2-Methanesulfonyl-5-nitrophenyl)pyrrolidine; 1-(2-methylsulfonyl-5-nitrophenyl)pyrrolidine |
IUPAC Name: | 1-(2-methylsulfonyl-5-nitrophenyl)pyrrolidine |
Description: | 1-(2-Methanesulfonyl-5-nitrophenyl)pyrrolidine is a useful research chemical for organic synthesis. |
Molecular Weight: | 270.3 |
Molecular Formula: | C11H14N2O4S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N2CCCC2 |
InChI: | InChI=1S/C11H14N2O4S/c1-18(16,17)11-5-4-9(13(14)15)8-10(11)12-6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3 |
InChI Key: | UDZHJBLGRXJPOC-UHFFFAOYSA-N |
Complexity: | 406 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.06742811 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.06742811 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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