| CAS Number | 1909326-52-8 |
| Catalog Number | AG01AMTK |
| Chemical Name | methyl 5-(chlorosulfonyl)-1,2-oxazole-3-carboxylate |
| IUPAC Name | methyl 5-chlorosulfonyl-1,2-oxazole-3-carboxylate |
| InChI | InChI=1S/C5H4ClNO5S/c1-11-5(8)3-2-4(12-7-3)13(6,9)10/h2H,1H3 |
| InChI Key | JEVCRQSSHAJMFH-UHFFFAOYSA-N |
| MDL Number | MFCD29054844 |
| Molecular Formula | C5H4ClNO5S |
| Molecular Weight | 225.607 |
| SMILES | COC(C1=NOC(S(Cl)(=O)=O)=C1)=O |
| Synonyms | 1909326-52-8,
methyl 5-(chlorosulfonyl)-1,2-oxazole-3-carboxylate,
ZINC299805332,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.599g/mol |
| Monoisotopic Mass | 224.95g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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