| CAS Number | 1339261-30-1 |
| Catalog Number | AG01AFD0 |
| Chemical Name | 1-(3-Chloro-2-fluorophenyl)ethanol |
| IUPAC Name | 1-(3-chloro-2-fluorophenyl)ethanol |
| InChI | InChI=1S/C8H8ClFO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,1H3 |
| InChI Key | QTHNHXVMPXXQSP-UHFFFAOYSA-N |
| MDL Number | MFCD20400992 |
| Molecular Formula | C8H8ClFO |
| Molecular Weight | 174.5999 |
| SMILES | CC(C1=C(F)C(Cl)=CC=C1)O |
| Synonyms | 1-(3-chloro-2-fluorophenyl)ethan-1-ol,
1339261-30-1,
AKOS014040682,
NE22067,
(1R)-1-(3-chloro-2-fluorophenyl)ethan-1-ol,
(1S)-1-(3-chloro-2-fluorophenyl)ethan-1-ol,
1344948-04-4,
1344948-86-2,
|
| 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