| CAS Number | 1021024-20-3 |
| Catalog Number | AG019WQC |
| Chemical Name | 2-[4-Amino-3-(trifluoromethyl)phenoxy]ethan-1-ol |
| IUPAC Name | 2-[4-amino-3-(trifluoromethyl)phenoxy]ethanol |
| InChI | InChI=1S/C9H10F3NO2/c10-9(11,12)7-5-6(15-4-3-14)1-2-8(7)13/h1-2,5,14H,3-4,13H2 |
| InChI Key | LLWIMKXVVRACGD-UHFFFAOYSA-N |
| MDL Number | MFCD11136601 |
| Molecular Formula | C9H10F3NO2 |
| Molecular Weight | 221.1764 |
| SMILES | NC1=C(C(F)(F)F)C=C(OCCO)C=C1 |
| Synonyms | 2-[4-amino-3-(trifluoromethyl)phenoxy]ethan-1-ol,
1021024-20-3,
AC1Q50S2,
SCHEMBL5461057,
CTK8A5515,
ZINC19870511,
AKOS000221488,
MCULE-9197583296,
NE22853,
EN300-52813,
Z802671678,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.179g/mol |
| Monoisotopic Mass | 221.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number