| CAS Number | 113048-69-4 |
| Catalog Number | AG00HCGK(AGN-PC-0NY2FD) |
| Chemical Name | 3-[3-(Trifluoromethyl)phenyl]prop-2-en-1-ol |
| IUPAC Name | (E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol |
| InChI | InChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-5,7,14H,6H2/b4-2+ |
| InChI Key | YDNLMIBCGPTFIK-DUXPYHPUSA-N |
| MDL Number | MFCD09260892 |
| Molecular Formula | C10H9F3O |
| Molecular Weight | 202.1731 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C=CCO |
| Synonyms | (E)-3-[3-(Trifluoromethyl)phenyl]-2-propen-1-ol,
3-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol,
113048-69-4,
64189-17-9,
SCHEMBL80956,
YDNLMIBCGPTFIK-DUXPYHPUSA-N,
E-3-trifluoromethylcinnamyl alcohol,
3-(Trifluoromethyl)cinnamyl alcohol,
ZINC44564128,
AKOS005265638,
NE24445,
EN300-126876,
2-Propen-1-ol, 3-[3-(trifluoromethyl)phenyl]-,
2-Propen-1-ol, 3-[3-(trifluoromethyl)phenyl]-, (2E)-,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 202.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.176g/mol |
| Monoisotopic Mass | 202.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number