| CAS Number | 1253225-69-2 |
| Catalog Number | AG01B6MF |
| Chemical Name | Methyl 5-(chlorosulfonyl)-3-methylfuran-2-carboxylate |
| IUPAC Name | methyl 5-chlorosulfonyl-3-methylfuran-2-carboxylate |
| InChI | InChI=1S/C7H7ClO5S/c1-4-3-5(14(8,10)11)13-6(4)7(9)12-2/h3H,1-2H3 |
| InChI Key | HEXWEIMKHZBKHP-UHFFFAOYSA-N |
| MDL Number | MFCD22190814 |
| Molecular Formula | C7H7ClO5S |
| Molecular Weight | 238.6455 |
| SMILES | COC(C1=C(C)C=C(S(Cl)(=O)=O)O1)=O |
| Synonyms | 1253225-69-2,
Methyl 5-(chlorosulfonyl)-3-methylfuran-2-carboxylate,
DTXSID60725641,
ZINC200978744,
D-1063,
2-Furancarboxylic acid, 5-(chlorosulfonyl)-3-methyl-, methyl ester,
methyl 5-chlorosulfonyl-3-methylfuran-2-carboxylate,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.638g/mol |
| Monoisotopic Mass | 237.97g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 82A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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