| CAS Number | 242459-80-9 |
| Catalog Number | AG01AIMT(AGN-PC-0WO247) |
| Chemical Name | benzyl 3-((chlorosulfonyl)methyl)pyrrolidine-1-carboxylate |
| IUPAC Name | benzyl 3-(chlorosulfonylmethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C13H16ClNO4S/c14-20(17,18)10-12-6-7-15(8-12)13(16)19-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2 |
| InChI Key | MRLVZWQKSRFTLG-UHFFFAOYSA-N |
| MDL Number | MFCD21647133 |
| Molecular Formula | C13H16ClNO4S |
| Molecular Weight | 317.7884 |
| SMILES | ClS(CC1CN(C(OCC2=CC=CC=C2)=O)CC1)(=O)=O |
| Synonyms | BENZYL 3-((CHLOROSULFONYL)METHYL)PYRROLIDINE-1-CARBOXYLATE,
242459-80-9,
benzyl 3-[(chlorosulfonyl)methyl]pyrrolidine-1-carboxylate,
SCHEMBL6957499,
MRLVZWQKSRFTLG-UHFFFAOYSA-N,
MFCD21647133,
AKOS026726773,
AS-42382,
benzyl 3-(chlorosulfonylmethyl)-1-pyrrolidinecarboxylate,
F9995-2343,
3-[(Chlorosulfonyl)methyl]pyrrolidine-1-carboxylic acid benzyl ester,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.784g/mol |
| Monoisotopic Mass | 317.049g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number