| CAS Number | 339001-14-8 |
| Catalog Number | AG01EVL3(AGN-PC-0WOEFH) |
| Chemical Name | 1-(4-Chloro-3-fluorophenyl)ethan-1-ol |
| IUPAC Name | 1-(4-chloro-3-fluorophenyl)ethanol |
| InChI | InChI=1S/C8H8ClFO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5,11H,1H3 |
| InChI Key | CFEKSJQGYVLAET-UHFFFAOYSA-N |
| MDL Number | MFCD08461916 |
| Molecular Formula | C8H8ClFO |
| Molecular Weight | 174.5999 |
| SMILES | C1(F)=C(Cl)C=CC(C(C)O)=C1 |
| Synonyms | 1-(4-Chloro-3-fluorophenyl)ethan-1-ol,
339001-14-8,
1-(4-chloro-3-fluorophenyl)ethanol,
SCHEMBL3978580,
CFEKSJQGYVLAET-UHFFFAOYSA-N,
MFCD08461916,
AKOS013210217,
FS-6310,
1-(4-chloro-3-fluoro-phenyl)-ethanol,
DB-017297,
Benzenemethanol, 4-chloro-3-fluoro-alpha-methyl-,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number