| CAS Number | 1144501-67-6 |
| Catalog Number | AG01BHLE |
| Chemical Name | 1-[2-hydroxy-3-(trifluoromethyl)phenyl]ethan-1-one |
| IUPAC Name | 1-[2-hydroxy-3-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H7F3O2/c1-5(13)6-3-2-4-7(8(6)14)9(10,11)12/h2-4,14H,1H3 |
| InChI Key | AFTZVZKIPQCZPT-UHFFFAOYSA-N |
| MDL Number | MFCD18397605 |
| Molecular Formula | C9H7F3O2 |
| Molecular Weight | 204.1459 |
| SMILES | CC(C1=C(O)C(C(F)(F)F)=CC=C1)=O |
| Synonyms | 1144501-67-6,
1-[2-hydroxy-3-(trifluoromethyl)phenyl]ethan-1-one,
1-(2-hydroxy-3-(trifluoromethyl)phenyl)ethanone,
SCHEMBL3319520,
AFTZVZKIPQCZPT-UHFFFAOYSA-N,
AKOS024076047,
ZINC169146497,
2'-Hydroxy-3'-(trifluoromethyl)acetophenone,
Z1966489408,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.148g/mol |
| Monoisotopic Mass | 204.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number