| CAS Number | 87327-70-6 |
| Catalog Number | AG019TGK |
| Chemical Name | 1-(2-Chloro-6-fluorophenyl)ethan-1-ol |
| IUPAC Name | 1-(2-chloro-6-fluorophenyl)ethanol |
| InChI | InChI=1S/C8H8ClFO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3 |
| InChI Key | XOKZEMDWMJPKRO-UHFFFAOYSA-N |
| MDL Number | MFCD16301573 |
| Molecular Formula | C8H8ClFO |
| Molecular Weight | 174.5999 |
| SMILES | CC(C1=C(Cl)C=CC=C1F)O |
| Synonyms | 1-(2-chloro-6-fluorophenyl)ethan-1-ol,
87327-70-6,
2-chloro-6-fluoro-alpha-methylbenzyl alcohol,
SCHEMBL1396928,
XOKZEMDWMJPKRO-UHFFFAOYSA-N,
1-(2-chloro-6-fluorophenyl)ethanol,
AKOS013208963,
MCULE-8191286599,
NE15971,
Z1318268741,
|
| 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