| CAS Number | 1427380-66-2 |
| Catalog Number | AG01A3SP |
| Chemical Name | 4-Chloro-α-ethyl-2-fluorobenzenemethanol
|
| IUPAC Name | 1-(4-chloro-2-fluorophenyl)propan-1-ol |
| InChI | InChI=1S/C9H10ClFO/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5,9,12H,2H2,1H3 |
| InChI Key | YCJICBFLMMWAGY-UHFFFAOYSA-N |
| MDL Number | MFCD17165114 |
| Molecular Formula | C9H10ClFO |
| Molecular Weight | 188.6265 |
| SMILES | C(CC)(O)c1c(F)cc(Cl)cc1 |
| Synonyms | 1-(4-chloro-2-fluorophenyl)propan-1-ol,
1427380-66-2,
SCHEMBL14920728,
AKOS012382511,
NE34933,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.626g/mol |
| Monoisotopic Mass | 188.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number