| CAS Number | 1563216-58-9 |
| Catalog Number | AG01AD7E |
| Chemical Name | methyl 3-(4-fluorophenyl)but-2-enoate |
| IUPAC Name | methyl 3-(4-fluorophenyl)but-2-enoate |
| InChI | InChI=1S/C11H11FO2/c1-8(7-11(13)14-2)9-3-5-10(12)6-4-9/h3-7H,1-2H3 |
| InChI Key | GNJGRAWNPUCVSX-UHFFFAOYSA-N |
| MDL Number | MFCD29041026 |
| Molecular Formula | C11H11FO2 |
| Molecular Weight | 194.2022 |
| SMILES | COC(C=C(C1=CC=C(F)C=C1)C)=O |
| Synonyms | methyl 3-(4-fluorophenyl)but-2-enoate,
1563216-58-9,
198889-33-7,
CTK0E0541,
DTXSID20777661,
2-Butenoic acid, 3-(4-fluorophenyl)-, methyl ester, (2E)-,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.205g/mol |
| Monoisotopic Mass | 194.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number