| CAS Number | 98279-45-9 |
| Catalog Number | AG01BRUE(AGN-PC-0NKY9D) |
| Chemical Name | 3-Iodo-4-methoxyphenol |
| IUPAC Name | 3-iodo-4-methoxyphenol |
| InChI | InChI=1S/C7H7IO2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,9H,1H3 |
| InChI Key | YTSNJJYJQIYXJT-UHFFFAOYSA-N |
| MDL Number | MFCD16998768 |
| Molecular Formula | C7H7IO2 |
| Molecular Weight | 250.0337 |
| SMILES | COC1=C(I)C=C(O)C=C1 |
| Synonyms | 3-IODO-4-METHOXYPHENOL,
98279-45-9,
Phenol, 3-iodo-4-methoxy-,
ACMC-20m27y,
SCHEMBL2722602,
CTK3G7893,
DTXSID80578510,
ZINC95713787,
AKOS027385186,
MB26647,
Z2738925378,
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| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.035g/mol |
| Monoisotopic Mass | 249.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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