| CAS Number | 1156736-57-0 |
| Catalog Number | AG01EAA8 |
| Chemical Name | 1-[2-(4-chlorophenoxy)-5-fluorophenyl]ethan-1-ol |
| IUPAC Name | 1-[2-(4-chlorophenoxy)-5-fluorophenyl]ethanol |
| InChI | InChI=1S/C14H12ClFO2/c1-9(17)13-8-11(16)4-7-14(13)18-12-5-2-10(15)3-6-12/h2-9,17H,1H3 |
| InChI Key | LNYBHEJWKZBKMM-UHFFFAOYSA-N |
| MDL Number | MFCD12073690 |
| Molecular Formula | C14H12ClFO2 |
| Molecular Weight | 266.6953 |
| SMILES | CC(C1=C(OC2=CC=C(Cl)C=C2)C=CC(F)=C1)O |
| Synonyms | 1-[2-(4-chlorophenoxy)-5-fluorophenyl]ethan-1-ol,
ZX-AH064585,
AKOS009535187,
ABA-1011726,
Z2785866099,
1156736-57-0,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.050986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.69g/mol |
| Monoisotopic Mass | 266.050986g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number