| CAS Number | 197230-74-3 |
| Catalog Number | AG00AM6B(AGN-PC-0NF493) |
| Chemical Name | 4-HYDROXY-3-IODOBENZYL ALCOHOL |
| IUPAC Name | 4-(hydroxymethyl)-2-iodophenol |
| InChI | InChI=1S/C7H7IO2/c8-6-3-5(4-9)1-2-7(6)10/h1-3,9-10H,4H2 |
| InChI Key | QXIYEFBDTDKMSG-UHFFFAOYSA-N |
| MDL Number | MFCD09754545 |
| Molecular Formula | C7H7IO2 |
| Molecular Weight | 250.0337 |
| SMILES | OCC1=CC(=C(C=C1)O)I |
| Synonyms | 4-(hydroxymethyl)-2-iodophenol,
197230-74-3,
Benzenemethanol, 4-hydroxy-3-iodo-,
2-Iodo-4-(hydroxymethyl)phenol,
4-Hydroxymethyl-2-iodo-phenol,
SCHEMBL7942390,
ZINC8727912,
AKOS028108840,
SC-54703,
BENZENEMETHANOL,4-HYDROXY-3-IODO-,
4-(hydroxymethyl)-2-iodo-phenol,
CID11054045,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.035g/mol |
| Monoisotopic Mass | 249.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number