| CAS Number | 1155979-78-4 |
| Catalog Number | AG01BG3P |
| Chemical Name | N-([3-(Trifluoromethyl)phenyl]methyl)prop-2-enamide |
| IUPAC Name | N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide |
| InChI | InChI=1S/C11H10F3NO/c1-2-10(16)15-7-8-4-3-5-9(6-8)11(12,13)14/h2-6H,1,7H2,(H,15,16) |
| InChI Key | GNPRFMAXHDFXQH-UHFFFAOYSA-N |
| MDL Number | MFCD12091167 |
| Molecular Formula | C11H10F3NO |
| Molecular Weight | 229.1984 |
| SMILES | C=CC(NCC1=CC=CC(C(F)(F)F)=C1)=O |
| Synonyms | N-{[3-(trifluoromethyl)phenyl]methyl}prop-2-enamide,
1155979-78-4,
ZINC36334209,
AKOS009808284,
VS-0112,
EN300-189384,
Z2517205754,
2-propenamide, n-[[3-(trifluoromethyl)phenyl]methyl]-,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.202g/mol |
| Monoisotopic Mass | 229.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number