| CAS Number | 1454847-96-1 |
| Catalog Number | AG001D3F |
| Chemical Name | Benzenemethanol, 5-fluoro-2-iodo-α-methyl-, (αS)- |
| IUPAC Name | (1S)-1-(5-fluoro-2-iodophenyl)ethanol |
| InChI | InChI=1S/C8H8FIO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,1H3/t5-/m0/s1 |
| InChI Key | GQGBQRLYBYFVAW-YFKPBYRVSA-N |
| MDL Number | MFCD30803240 |
| Molecular Formula | C8H8FIO |
| Molecular Weight | 266.0514 |
| SMILES | FC=1C=CC(=C(C1)[C@H](C)O)I |
| Synonyms | SCHEMBL15273941,
ZINC147858194,
(S)-1-(5-fluoro-2-iodophenyl)ethanol,
(S)-1-(5-Fluoro-2-iodophenyl)ethan-1-ol,
CS-0078600,
1454847-96-1,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.054g/mol |
| Monoisotopic Mass | 265.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number