| CAS Number | 1306606-67-6 |
| Catalog Number | AG01AIJE(AGN-PC-0WODHW) |
| Chemical Name | Methyl 4-bromo-5-(chlorosulfonyl)thiophene-2-carboxylate |
| IUPAC Name | methyl 4-bromo-5-chlorosulfonylthiophene-2-carboxylate |
| InChI | InChI=1S/C6H4BrClO4S2/c1-12-5(9)4-2-3(7)6(13-4)14(8,10)11/h2H,1H3 |
| InChI Key | IRAYQSPTRMDCHJ-UHFFFAOYSA-N |
| MDL Number | MFCD18839111 |
| Molecular Formula | C6H4BrClO4S2 |
| Molecular Weight | 319.5806 |
| SMILES | COC(C1SC(S(Cl)(=O)=O)=C(Br)C=1)=O |
| Synonyms | methyl 4-bromo-5-(chlorosulfonyl)thiophene-2-carboxylate,
1306606-67-6,
AKOS026730428,
ZINC100633208,
NE16390,
EN300-78000,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.842g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.568g/mol |
| Monoisotopic Mass | 317.842g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 97.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number