| CAS Number | 154309-48-5 |
| Catalog Number | AG01DVLB(AGN-PC-0Q6OQL) |
| Chemical Name | 1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol |
| IUPAC Name | 1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol |
| InChI | InChI=1S/C10H9F3O/c1-2-9(14)7-4-3-5-8(6-7)10(11,12)13/h2-6,9,14H,1H2 |
| InChI Key | VPNIIUJZYAYFND-UHFFFAOYSA-N |
| MDL Number | MFCD21232133 |
| Molecular Formula | C10H9F3O |
| Molecular Weight | 202.1731 |
| SMILES | OC(C1=CC(C(F)(F)F)=CC=C1)C=C |
| Synonyms | 154309-48-5,
1-(3-(trifluoromethyl)phenyl)prop-2-en-1-ol,
1-[3-(trifluoromethyl)phenyl]prop-2-en-1-ol,
SCHEMBL805257,
VPNIIUJZYAYFND-UHFFFAOYSA-N,
AKOS014752641,
1-(3-trifluoromethylphenyl)prop-2-en-1-ol,
Benzenemethanol, alpha-ethenyl-3-(trifluoromethyl)-,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number