| CAS Number | 37987-26-1 |
| Catalog Number | AG00C9QM(AGN-PC-0NF6KZ) |
| Chemical Name | 4-Hydroxy-3,5-diiodobenzyl Alcohol |
| IUPAC Name | 4-(hydroxymethyl)-2,6-diiodophenol |
| InChI | InChI=1S/C7H6I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,10-11H,3H2 |
| InChI Key | VJXBYCZCWPIBRJ-UHFFFAOYSA-N |
| MDL Number | MFCD06203112 |
| Molecular Formula | C7H6I2O2 |
| Molecular Weight | 375.9303 |
| SMILES | OCc1cc(I)c(O)c(I)c1 |
| Synonyms | 4-HYDROXY-3,5-DIIODOBENZYL ALCOHOL,
37987-26-1,
4-(Hydroxymethyl)-2,6-diiodophenol,
SCHEMBL8773696,
CTK4H9101,
DTXSID90453647,
ZINC34772816,
4-Hydroxy-3,5-diiodo-benzenemethanol,
AKOS025402662,
FT-0669548,
4-(hydroxymethyl)-2,6-diiodo-phenol,
CID11057881,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 375.846g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.932g/mol |
| Monoisotopic Mass | 375.846g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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