| CAS Number | 1311315-85-1 |
| Catalog Number | AG009YKT |
| Chemical Name | benzyl 3-(chlorosulfonyl)azetidine-1-carboxylate |
| IUPAC Name | benzyl 3-chlorosulfonylazetidine-1-carboxylate |
| InChI | InChI=1S/C11H12ClNO4S/c12-18(15,16)10-6-13(7-10)11(14)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
| InChI Key | NUARHOWMZKPZDM-UHFFFAOYSA-N |
| MDL Number | MFCD18785597 |
| Molecular Formula | C11H12ClNO4S |
| Molecular Weight | 289.7353 |
| SMILES | O=C(N1CC(C1)S(=O)(=O)Cl)OCc1ccccc1 |
| Synonyms | benzyl 3-(chlorosulfonyl)azetidine-1-carboxylate,
1311315-85-1,
SCHEMBL18592900,
MFCD18785597,
ZINC100630295,
NE16358,
BS-14086,
EN300-75794,
3-(Chlorosulfonyl)azetidine-1-carboxylic acid benzyl ester,
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| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.73g/mol |
| Monoisotopic Mass | 289.018g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number