| CAS Number | 220089-24-7 |
| Catalog Number | AG01A9XF(AGN-PC-0QYK91) |
| Chemical Name | (1r)-1-(4-Iodophenyl)ethan-1-ol |
| IUPAC Name | (1R)-1-(4-iodophenyl)ethanol |
| InChI | InChI=1S/C8H9IO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m1/s1 |
| InChI Key | KWUDBZIJCVKUHM-ZCFIWIBFSA-N |
| MDL Number | MFCD09863732 |
| Molecular Formula | C8H9IO |
| Molecular Weight | 248.0609 |
| SMILES | C[C@H](C1=CC=C(C=C1)I)O |
| Synonyms | (1R)-1-(4-iodophenyl)ethan-1-ol,
220089-24-7,
(r)-p-iodophenylethanol,
AC1Q29CG,
(R)-1-(4-Iodophenyl)ethanol,
SCHEMBL12812583,
CTK5J1727,
ZINC12506403,
AKOS034825921,
MCULE-2273689005,
NE40101,
(1R)-1-(4-IODOPHENYL)ETHANOL,
(AlphaR)-4-iodo-alpha-methylbenzenemethanol,
EN300-66468,
J-501733,
Z360055808,
|
| Complexity | 97.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.063g/mol |
| Monoisotopic Mass | 247.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number