| CAS Number | 2713-62-4 |
| Catalog Number | AG01EUNI(AGN-PC-0R2YR9) |
| Chemical Name | 2-(2-Aminophenyl)-1,1,1,3,3,3-Hexafluoropropan-2-Ol |
| IUPAC Name | 2-(2-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol |
| InChI | InChI=1S/C9H7F6NO/c10-8(11,12)7(17,9(13,14)15)5-3-1-2-4-6(5)16/h1-4,17H,16H2 |
| InChI Key | HSCFLKMJUGBEEQ-UHFFFAOYSA-N |
| MDL Number | MFCD03425204 |
| Molecular Formula | C9H7F6NO |
| Molecular Weight | 259.1484 |
| SMILES | C1=CC=CC(C(O)(C(F)(F)F)C(F)(F)F)=C1N |
| Synonyms | 2-(2-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol,
2713-62-4,
2-(Hexafluoro-2-hydroxyisopropyl)aniline,
AC1MC00V,
SCHEMBL3380756,
DTXSID00374713,
HSCFLKMJUGBEEQ-UHFFFAOYSA-N,
ZINC2576106,
AKOS023097879,
o-Amino-a,a-bis(trifluoromethyl)benzyl alcohol,
ZINC02576106,
CID2759268,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.151g/mol |
| Monoisotopic Mass | 259.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number