| CAS Number | 1989638-22-3 |
| Catalog Number | AG01C53W |
| Chemical Name | tert-butyl (1r,3r)-3-(chlorosulfonyl)cyclobutane-1-carboxylate |
| IUPAC Name | tert-butyl 3-chlorosulfonylcyclobutane-1-carboxylate |
| InChI | InChI=1S/C9H15ClO4S/c1-9(2,3)14-8(11)6-4-7(5-6)15(10,12)13/h6-7H,4-5H2,1-3H3 |
| InChI Key | JVAXNGYRNQIFQE-UHFFFAOYSA-N |
| MDL Number | MFCD30344821 |
| Molecular Formula | C9H15ClO4S |
| Molecular Weight | 254.7310 |
| SMILES | CC(OC([C@@H]1C[C@@H](S(Cl)(=O)=O)C1)=O)(C)C |
| Synonyms | tert-Butyl 3-(chlorosulfonyl)cyclobutane-1-carboxylate,
2091136-83-1,
ZINC521398905,
tert-butyl (1R,3R)-3-(chlorosulfonyl)cyclobutane-1-carboxylate, trans,
1989638-22-3,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.725g/mol |
| Monoisotopic Mass | 254.038g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number