| CAS Number | 37987-21-6 |
| Catalog Number | AG00CHP0(AGN-PC-0RF3ID) |
| Chemical Name | 4-(Hydroxymethyl)-2-iodo-6-methoxyphenol |
| IUPAC Name | 4-(hydroxymethyl)-2-iodo-6-methoxyphenol |
| InChI | InChI=1S/C8H9IO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,10-11H,4H2,1H3 |
| InChI Key | YQQRUTNMNAZIAR-UHFFFAOYSA-N |
| MDL Number | MFCD00238615 |
| Molecular Formula | C8H9IO3 |
| Molecular Weight | 280.0597 |
| SMILES | COC1=C(O)C(I)=CC(CO)=C1 |
| Synonyms | 4-(hydroxymethyl)-2-iodo-6-methoxyphenol,
37987-21-6,
5-iodovanillyl alcohol,
AC1Q468T,
SCHEMBL9467420,
CTK4H9100,
DTXSID30569519,
YQQRUTNMNAZIAR-UHFFFAOYSA-N,
ZINC2561244,
AKOS000126307,
MCULE-7843739441,
NE36511,
3-iodo-4-hydroxy-5-methoxybenzenemethanol,
5-Iodo-4-hydroxy-3-methoxybenzenemethanol,
Benzenemethanol,4-hydroxy-3-iodo-5-methoxy-,
EN300-65776,
Z228585292,
4- -2-IODO-6-METHOXYPHENOL,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.061g/mol |
| Monoisotopic Mass | 279.96g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number