| CAS Number | 911218-03-6 |
| Catalog Number | AG00GULD(AGN-PC-0WOZW1) |
| Chemical Name | (1S)-1-(2-chloro-4-fluorophenyl)ethan-1-ol |
| IUPAC Name | (1S)-1-(2-chloro-4-fluorophenyl)ethanol |
| InChI | InChI=1S/C8H8ClFO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-5,11H,1H3/t5-/m0/s1 |
| InChI Key | UVTJHIWKGYOZFO-YFKPBYRVSA-N |
| MDL Number | MFCD09863795 |
| Molecular Formula | C8H8ClFO |
| Molecular Weight | 174.5999 |
| SMILES | C[C@@H](C1=C(Cl)C=C(F)C=C1)O |
| Synonyms | (1S)-1-(2-chloro-4-fluorophenyl)ethan-1-ol,
911218-03-6,
(1S)-1-(2-CHLORO-4-FLUOROPHENYL)ETHANOL,
(S)-1-(2-Chloro-4-fluorophenyl)ethanol,
PubChem15575,
AC1Q29MF,
CTK7B8715,
DTXSID20654266,
ZINC2541337,
AKOS034825929,
NE14573,
EN300-60151,
(alphaS)-2-Chloro-4-fluoro-alpha-methyl-benzenemethanol,
Benzenemethanol, 2-chloro-4-fluoro-alpha-methyl-, (alphaS),
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.599g/mol |
| Monoisotopic Mass | 174.025g/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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number