| CAS Number | 1909294-41-2 |
| Catalog Number | AG01AV50 |
| Chemical Name | trans-Methyl 3-(chlorosulfonyl)cyclobutanecarboxylate |
| IUPAC Name | methyl 3-chlorosulfonylcyclobutane-1-carboxylate |
| InChI | InChI=1S/C6H9ClO4S/c1-11-6(8)4-2-5(3-4)12(7,9)10/h4-5H,2-3H2,1H3 |
| InChI Key | WTZPZRVIYDYSNZ-UHFFFAOYSA-N |
| MDL Number | MFCD29906754 |
| Molecular Formula | C6H9ClO4S |
| Molecular Weight | 212.6513 |
| SMILES | COC([C@@H]1C[C@@H](S(Cl)(=O)=O)C1)=O |
| Synonyms | methyl 3-(chlorosulfonyl)cyclobutane-1-carboxylate,
1248799-94-1,
1909294-41-2,
SCHEMBL20792458,
AKOS010995642,
AKOS030527368,
ZINC100491868,
ZINC307418380,
NE28078,
trans-Methyl 3-(chlorosulfonyl)cyclobutanecarboxylate,
methyl rac-(1s,3s)-3-(chlorosulfonyl)cyclobutane-1-carboxylate,
methyl (1r,3r)-3-(chlorosulfonyl)cyclobutane-1-carboxylate, trans,
1932811-28-3,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.644g/mol |
| Monoisotopic Mass | 211.991g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number