| CAS Number | 51791-29-8 |
| Catalog Number | AG01E71T(AGN-PC-0OBKHJ) |
| Chemical Name | (2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile |
| IUPAC Name | (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile |
| InChI | InChI=1S/C10H6F3N/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h1-6H/b2-1+ |
| InChI Key | KOVQKDRPQUROPC-OWOJBTEDSA-N |
| MDL Number | MFCD16083020 |
| Molecular Formula | C10H6F3N |
| Molecular Weight | 197.1565 |
| SMILES | FC(C1=CC=C(/C=C/C#N)C=C1)(F)F |
| Synonyms | 4-trifluoromethylcinnamonitrile,
3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile,
24654-53-3,
SCHEMBL4728563,
SCHEMBL9823840,
4-(Trifluoromethyl)cinnamonitrile,
ZINC34619021,
NE15936,
EN300-117829,
(2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile, E,
51791-29-8,
CID11052575,
(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 197.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.16g/mol |
| Monoisotopic Mass | 197.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number