| CAS Number | 2340-22-9 |
| Catalog Number | AG01BFQL(AGN-PC-0QZQ5Q) |
| Chemical Name | 3,3,3-Trifluoro-1-phenylpropan-1-ol |
| IUPAC Name | 3,3,3-trifluoro-1-phenylpropan-1-ol |
| InChI | InChI=1S/C9H9F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h1-5,8,13H,6H2 |
| InChI Key | FGQDXXGWOGKGBU-UHFFFAOYSA-N |
| MDL Number | MFCD12047725 |
| Molecular Formula | C9H9F3O |
| Molecular Weight | 190.1624 |
| SMILES | OC(C1=CC=CC=C1)CC(F)(F)F |
| Synonyms | 3,3,3-trifluoro-1-phenylpropan-1-ol,
2340-22-9,
SCHEMBL5865833,
AKOS009940927,
3,3,3-trifluoro-1-phenyl-1-propanol,
NE28528,
1-Phenyl-3,3,3-trifluoro-1-propanol,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.165g/mol |
| Monoisotopic Mass | 190.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number