| CAS Number | 204315-81-1 |
| Catalog Number | AG01FVJS(AGN-PC-0H2HY2) |
| Chemical Name | 4,4'-Diiodo[1,1'-biphenyl]-2,2'-diol |
| IUPAC Name | 2-(2-hydroxy-5-iodophenyl)-4-iodophenol |
| InChI | InChI=1S/C12H8I2O2/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6,15-16H |
| InChI Key | NQPMNGDKXAKHHR-UHFFFAOYSA-N |
| MDL Number | MFCD32659960 |
| Molecular Formula | C12H8I2O2 |
| Molecular Weight | 437.9997 |
| SMILES | OC1=CC(I)=CC=C1C2=CC=C(I)C=C2O |
| Synonyms | 204315-81-1,
4,4'-diiodo-2,2'-biphenol,
SCHEMBL20152951,
5,5'-Diiodo-[1,1'-biphenyl]-2,2'-diol,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 437.86137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438g/mol |
| Monoisotopic Mass | 437.86137g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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