| CAS Number | 105404-91-9 |
| Catalog Number | AG008Y12(AGN-PC-00MXPR) |
| Chemical Name | 2,8-Diiododibenzothiophene |
| IUPAC Name | 2,8-diiododibenzothiophene |
| InChI | InChI=1S/C12H6I2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H |
| InChI Key | JUMCSMONVKDUIB-UHFFFAOYSA-N |
| MDL Number | MFCD00275724 |
| Molecular Formula | C12H6I2S |
| Molecular Weight | 436.0500 |
| SMILES | IC1=CC=C3C(C2=CC(I)=CC=C2S3)=C1 |
| Synonyms | 2,8-Diiododibenzothiophene,
105404-91-9,
SCHEMBL13783207,
MFCD00275724,
ZINC34080155,
SC-52198,
D4870,
ACN-043196,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 435.828g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 436.049g/mol |
| Monoisotopic Mass | 435.828g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
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Certificate of Analysis
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