| CAS Number | 477886-99-0 |
| Catalog Number | AG00IP0G(AGN-PC-0WASCS) |
| Chemical Name | [2-(4-Iodophenoxy)phenyl]methanol |
| IUPAC Name | [2-(4-iodophenoxy)phenyl]methanol |
| InChI | InChI=1S/C13H11IO2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-8,15H,9H2 |
| InChI Key | MZZAVJVDQDFIFU-UHFFFAOYSA-N |
| MDL Number | MFCD01814786 |
| Molecular Formula | C13H11IO2 |
| Molecular Weight | 326.1297 |
| SMILES | OCC1=C(OC2=CC=C(I)C=C2)C=CC=C1 |
| Synonyms | [2-(4-iodophenoxy)phenyl]methanol,
477886-99-0,
AC1MVZ24,
AC1Q7BY8,
Oprea1_107030,
KS-00001UQQ,
ZINC4091829,
AKOS005086120,
MCULE-4270782687,
NE52974,
EN300-72497,
2P-079,
Z1245646685,
ZINC04091829,
CID3740929,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.133g/mol |
| Monoisotopic Mass | 325.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number