| CAS Number | 1803609-21-3 |
| Catalog Number | AG01A3B4 |
| Chemical Name | Methyl 1-[(chlorosulfonyl)methyl]cyclobutane-1-carboxylate |
| IUPAC Name | methyl 1-(chlorosulfonylmethyl)cyclobutane-1-carboxylate |
| InChI | InChI=1S/C7H11ClO4S/c1-12-6(9)7(3-2-4-7)5-13(8,10)11/h2-5H2,1H3 |
| InChI Key | PMJPJASBFKSCII-UHFFFAOYSA-N |
| MDL Number | MFCD28954017 |
| Molecular Formula | C7H11ClO4S |
| Molecular Weight | 226.6778 |
| SMILES | COC(C1(CCC1)CS(Cl)(=O)=O)=O |
| Synonyms | methyl 1-[(chlorosulfonyl)methyl]cyclobutane-1-carboxylate,
1803609-21-3,
ZINC238854913,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.671g/mol |
| Monoisotopic Mass | 226.007g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number