| CAS Number | 103962-06-7 |
| Catalog Number | AG01B406(AGN-PC-0NVMVC) |
| Chemical Name | 3-[4-(trifluoromethoxy)phenyl]prop-2-enenitrile |
| IUPAC Name | 3-[4-(trifluoromethoxy)phenyl]prop-2-enenitrile |
| InChI | InChI=1S/C10H6F3NO/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h1-6H |
| InChI Key | WZUSKVBYPYISLI-UHFFFAOYSA-N |
| MDL Number | MFCD00662454 |
| Molecular Formula | C10H6F3NO |
| Molecular Weight | 213.1559 |
| SMILES | FC(OC1=CC=C(C=CC#N)C=C1)(F)F |
| Synonyms | 3-[4-(trifluoromethoxy)phenyl]prop-2-enenitrile,
103962-06-7,
4-Trifluoromethoxycinnamonitrile,
WZUSKVBYPYISLI-UHFFFAOYSA-N,
AKOS017436859,
2-Propenenitrile, 3-[4-(trifluoromethoxy)phenyl]-,
167375-71-5,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.159g/mol |
| Monoisotopic Mass | 213.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.2 |
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