| CAS Number | 1021063-95-5 |
| Catalog Number | AG01AHET(AGN-PC-0WBK64) |
| Chemical Name | [3-(2,2,2-Trifluoroethoxy)phenyl]methanol |
| IUPAC Name | [3-(2,2,2-trifluoroethoxy)phenyl]methanol |
| InChI | InChI=1S/C9H9F3O2/c10-9(11,12)6-14-8-3-1-2-7(4-8)5-13/h1-4,13H,5-6H2 |
| InChI Key | VIVCPZPHCLORGC-UHFFFAOYSA-N |
| MDL Number | MFCD11149514 |
| Molecular Formula | C9H9F3O2 |
| Molecular Weight | 206.1618 |
| SMILES | OCC1=CC(OCC(F)(F)F)=CC=C1 |
| Synonyms | [3-(2,2,2-trifluoroethoxy)phenyl]methanol,
1021063-95-5,
SCHEMBL5843825,
ZINC20031712,
AKOS000247924,
MCULE-8554002672,
NE15002,
EN300-74466,
Z1262237216,
(3-(2,2,2-trifluoroethoxy)phenyl)methanol,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.164g/mol |
| Monoisotopic Mass | 206.055g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number