| CAS Number | 1028366-95-1 |
| Catalog Number | AG01EIUD |
| Chemical Name | Ethyl 1-(chlorosulfonyl)pyrrolidine-2-carboxylate |
| IUPAC Name | ethyl 1-chlorosulfonylpyrrolidine-2-carboxylate |
| InChI | InChI=1S/C7H12ClNO4S/c1-2-13-7(10)6-4-3-5-9(6)14(8,11)12/h6H,2-5H2,1H3 |
| InChI Key | WCUNTJWGGDSJPD-UHFFFAOYSA-N |
| MDL Number | MFCD08445192 |
| Molecular Formula | C7H12ClNO4S |
| Molecular Weight | 241.6925 |
| SMILES | CCOC(C1N(S(Cl)(=O)=O)CCC1)=O |
| Synonyms | ethyl 1-(chlorosulfonyl)pyrrolidine-2-carboxylate,
AC1Q34J8,
SCHEMBL16051479,
CTK6F6832,
AKOS009113536,
NE33912,
EN300-31545,
ethyl 1-(chlorosulfonyl)pyrrolidine-2-carboxylate, AldrichCPR,
1028366-95-1,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.686g/mol |
| Monoisotopic Mass | 241.018g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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