| CAS Number | 24647-84-5 |
| Catalog Number | AG01BTN9 |
| Chemical Name | Methyl 4-bromo-5-iodothiophene-3-carboxylate |
| IUPAC Name | methyl 4-bromo-5-iodothiophene-3-carboxylate |
| InChI | InChI=1S/C6H4BrIO2S/c1-10-6(9)3-2-11-5(8)4(3)7/h2H,1H3 |
| InChI Key | HHYCJGXXVFIGRS-UHFFFAOYSA-N |
| MDL Number | MFCD01859856 |
| Molecular Formula | C6H4BrIO2S |
| Molecular Weight | 346.9682 |
| SMILES | COC(C1C(Br)=C(I)SC=1)=O |
| Synonyms | methyl 4-bromo-5-iodothiophene-3-carboxylate,
AC1LGC7D,
SCHEMBL18490206,
CTK6J1130,
ZINC334098,
24647-84-5,
AI-942/25034125,
CID818873,
ZINC00334098,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.816g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.964g/mol |
| Monoisotopic Mass | 345.816g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number