| CAS Number | 2138430-31-4 |
| Catalog Number | AG01EIVF |
| Chemical Name | methyl 2-chloro-5-(chlorosulfonyl)furan-3-carboxylate |
| IUPAC Name | methyl 2-chloro-5-chlorosulfonylfuran-3-carboxylate |
| InChI | InChI=1S/C6H4Cl2O5S/c1-12-6(9)3-2-4(13-5(3)7)14(8,10)11/h2H,1H3 |
| InChI Key | ODWQYBCTNMAWHM-UHFFFAOYSA-N |
| MDL Number | MFCD31456789 |
| Molecular Formula | C6H4Cl2O5S |
| Molecular Weight | 259.064 |
| SMILES | COC(C1=C(Cl)OC(S(Cl)(=O)=O)=C1)=O |
| Synonyms | SCHEMBL19506015,
methyl 2-chloro-5-(chlorosulfonyl)furan-3-carboxylate,
2138430-31-4,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.053g/mol |
| Monoisotopic Mass | 257.916g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 82A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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