| CAS Number | 609359-56-0 |
| Catalog Number | AG01C5J1(AGN-PC-0OD80P) |
| Chemical Name | Ethyl 3-(2,6-difluorophenyl)prop-2-enoate |
| IUPAC Name | ethyl (E)-3-(2,6-difluorophenyl)prop-2-enoate |
| InChI | InChI=1S/C11H10F2O2/c1-2-15-11(14)7-6-8-9(12)4-3-5-10(8)13/h3-7H,2H2,1H3/b7-6+ |
| InChI Key | COBPFZSQRMQTRT-VOTSOKGWSA-N |
| MDL Number | MFCD22124793 |
| Molecular Formula | C11H10F2O2 |
| Molecular Weight | 212.1927 |
| SMILES | FC1=C(C(=CC=C1)F)C=CC(=O)OCC |
| Synonyms | 609359-56-0,
Ethyl (2E)-3-(2,6-difluorophenyl)prop-2-enoate,
ethyl 3-(2,6-difluorophenyl)prop-2-enoate,
SCHEMBL2555912,
COBPFZSQRMQTRT-VOTSOKGWSA-N,
ZINC121068866,
ethyl (2E)-3-(2,6-difluorophenyl)acrylate,
EN300-263849,
ethyl (E)-3-(2,6-difluorophenyl)prop-2-enoate,
(2e)-3-(2,6-difluorophenyl)-2-propenoic acid, ethyl ester,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 212.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.196g/mol |
| Monoisotopic Mass | 212.065g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number