| CAS Number | 4698-90-2 |
| Catalog Number | AG019XGS(AGN-PC-05CVN8) |
| Chemical Name | 1-Amino-3-[3-(trifluoromethyl)phenoxy]propan-2-ol |
| IUPAC Name | 1-amino-3-[3-(trifluoromethyl)phenoxy]propan-2-ol |
| InChI | InChI=1S/C10H12F3NO2/c11-10(12,13)7-2-1-3-9(4-7)16-6-8(15)5-14/h1-4,8,15H,5-6,14H2 |
| InChI Key | QBOZYQWTVVSEFZ-UHFFFAOYSA-N |
| MDL Number | MFCD11131172 |
| Molecular Formula | C10H12F3NO2 |
| Molecular Weight | 235.2030 |
| SMILES | NCC(COC1=CC(C(F)(F)F)=CC=C1)O |
| Synonyms | 1-amino-3-[3-(trifluoromethyl)phenoxy]propan-2-ol,
4698-90-2,
AC1Q53OX,
SCHEMBL773252,
2-Propanol, 1-amino-3-[3-(trifluoromethyl)phenoxy]-,
CTK7E3335,
AKOS000212520,
MCULE-2791442284,
NE30042,
EN300-54954,
Z839028594,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.206g/mol |
| Monoisotopic Mass | 235.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number