| CAS Number | 104013-25-4 |
| Catalog Number | AG01AGPH(AGN-PC-0OSS02) |
| Chemical Name | (1S)-1-(4-Iodophenyl)ethan-1-ol |
| IUPAC Name | (1S)-1-(4-iodophenyl)ethanol |
| InChI | InChI=1S/C8H9IO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1 |
| InChI Key | KWUDBZIJCVKUHM-LURJTMIESA-N |
| MDL Number | MFCD09863731 |
| Molecular Formula | C8H9IO |
| Molecular Weight | 248.0609 |
| SMILES | C[C@@H](C1=CC=C(C=C1)I)O |
| Synonyms | (1S)-1-(4-iodophenyl)ethan-1-ol,
(S)-1-(4-iodophenyl)ethanol,
104013-25-4,
AC1Q29NI,
Benzenemethanol, 4-iodo-alpha-methyl-, (alphaS)-,
SCHEMBL4867593,
CTK5J1393,
KWUDBZIJCVKUHM-LURJTMIESA-N,
ZINC12506402,
AKOS010399407,
MCULE-8426240036,
NE19472,
(1S)-1-(4-IODOPHENYL)ETHANOL,
EN300-72506,
Z360055806,
1-(4-iodophenyl)ethanol,
CID11390977,
|
| 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