| CAS Number | 933673-55-3 |
| Catalog Number | AG01EZCB(AGN-PC-3H48JE) |
| Chemical Name | 1-(4-Chloro-2-fluoro-phenyl)-ethan-1-ol |
| IUPAC Name | 1-(4-chloro-2-fluorophenyl)ethanol |
| InChI | InChI=1S/C8H8ClFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5,11H,1H3 |
| InChI Key | SFYMSCDTIQQNLH-UHFFFAOYSA-N |
| MDL Number | MFCD09037960 |
| Molecular Formula | C8H8ClFO |
| Molecular Weight | 174.5999 |
| SMILES | c1cc(cc(c1C(C)O)F)Cl |
| Synonyms | 1-(4-Chloro-2-fluoro-phenyl)-ethan-1-ol,
933673-55-3,
SCHEMBL2295810,
SFYMSCDTIQQNLH-UHFFFAOYSA-N,
1-(4-chloro-2-fluorophenyl)ethanol,
AKOS012382690,
1-(4-Chloro-2-fluoro-phenyl)-ethanol,
1-(4-chloro-2-fluorophenyl)ethan-1-ol,
(RS)-1-(4-chloro-2-fluorophenyl)ethanol,
DB-017292,
J-501721,
(AlphaR)-2-fluoro-4-chloro-alpha-methylbenzenemethanol,
N/A,
|
| 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