| CAS Number | 1308384-40-8 |
| Catalog Number | AG00J2FB(AGN-PC-0WB5UK) |
| Chemical Name | 2-(methoxymethyl)-1-pyrrolidinesulfonyl chloride |
| IUPAC Name | 2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride |
| InChI | InChI=1S/C6H12ClNO3S/c1-11-5-6-3-2-4-8(6)12(7,9)10/h6H,2-5H2,1H3 |
| InChI Key | ZLZQXGXZMQYGDJ-UHFFFAOYSA-N |
| MDL Number | MFCD18917014 |
| Molecular Formula | C6H12ClNO3S |
| Molecular Weight | 213.6824 |
| SMILES | O=S(N1C(COC)CCC1)(Cl)=O |
| Synonyms | 2-(methoxymethyl)-1-pyrrolidinesulfonyl chloride,
1308384-40-8,
2-(methoxymethyl)pyrrolidine-1-sulfonyl chloride,
MFCD18917014,
AKOS027426353,
Y-7993,
2-(Methoxymethyl)-1-pyrrolidinesulfonyl chloride, AldrichCPR,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.676g/mol |
| Monoisotopic Mass | 213.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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