| CAS Number | 1021003-12-2 |
| Catalog Number | AG01BILU |
| Chemical Name | 2-{[4-(trifluoromethyl)phenyl]amino}ethan-1-ol |
| IUPAC Name | 2-[4-(trifluoromethyl)anilino]ethanol |
| InChI | InChI=1S/C9H10F3NO/c10-9(11,12)7-1-3-8(4-2-7)13-5-6-14/h1-4,13-14H,5-6H2 |
| InChI Key | GYUHDZLHKQMXPN-UHFFFAOYSA-N |
| MDL Number | MFCD11152038 |
| Molecular Formula | C9H10F3NO |
| Molecular Weight | 205.1770 |
| SMILES | OCCNC1=CC=C(C(F)(F)F)C=C1 |
| Synonyms | 1021003-12-2,
SCHEMBL17604064,
ZINC20046373,
AKOS000256657,
2-((4-(trifluoromethyl)phenyl)amino)ethanol,
2-{[4-(trifluoromethyl)phenyl]amino}ethan-1-ol,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.18g/mol |
| Monoisotopic Mass | 205.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number