| CAS Number | 347194-02-9 |
| Catalog Number | AG00C7GU(AGN-PC-0WBT4L) |
| Chemical Name | 1-[3-(trifluoromethoxy)phenyl]ethan-1-ol |
| IUPAC Name | 1-[3-(trifluoromethoxy)phenyl]ethanol |
| InChI | InChI=1S/C9H9F3O2/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-6,13H,1H3 |
| InChI Key | BWANKNAGTRWECQ-UHFFFAOYSA-N |
| MDL Number | MFCD06797343 |
| Molecular Formula | C9H9F3O2 |
| Molecular Weight | 206.1618 |
| SMILES | CC(O)C1=CC=CC(OC(F)(F)F)=C1 |
| Synonyms | 347194-02-9,
1-[3-(Trifluoromethoxy)phenyl]ethan-1-ol,
1-(3-(Trifluoromethoxy)phenyl)ethanol,
1-[3-(Trifluoromethoxy)phenyl]ethanol,
MFCD06797343,
SCHEMBL1047410,
CTK4H2900,
DTXSID60661515,
BWANKNAGTRWECQ-UHFFFAOYSA-N,
1-(3-Trifluoromethoxyphenyl)ethanol,
AKOS012213061,
1-[3- PHENYL]ETHAN-1-OL,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.164g/mol |
| Monoisotopic Mass | 206.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number