| CAS Number | 89088-95-9 |
| Catalog Number | AG00IFKR(AGN-PC-0NCWDM) |
| Chemical Name | Thiophene, 2,5-dibromo-, 1,1-dioxide |
| IUPAC Name | 2,5-dibromothiophene 1,1-dioxide |
| InChI | InChI=1S/C4H2Br2O2S/c5-3-1-2-4(6)9(3,7)8/h1-2H |
| InChI Key | LKJJLFANVUXGGB-UHFFFAOYSA-N |
| MDL Number | MFCD28384140 |
| Molecular Formula | C4H2Br2O2S |
| Molecular Weight | 273.9305 |
| SMILES | O=S1(=O)C(=CC=C1Br)Br |
| Synonyms | 2,5-dibromothiophene 1,1-dioxide,
89088-95-9,
SCHEMBL17202280,
2,5-Dibromothiophene1,1-dioxide,
MFCD28384140,
AKOS026671343,
ZINC137659086,
D4376,
CID10923739,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.812g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.926g/mol |
| Monoisotopic Mass | 271.814g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number