| CAS Number | 2060523-58-0 |
| Catalog Number | AG01BXPY |
| Chemical Name | Ethyl 3-cyclopropyl-2-fluorobut-2-enoate |
| IUPAC Name | ethyl 3-cyclopropyl-2-fluorobut-2-enoate |
| InChI | InChI=1S/C9H13FO2/c1-3-12-9(11)8(10)6(2)7-4-5-7/h7H,3-5H2,1-2H3 |
| InChI Key | OBERRPZQCSOPAQ-UHFFFAOYSA-N |
| MDL Number | MFCD30497708 |
| Molecular Formula | C9H13FO2 |
| Molecular Weight | 172.1967 |
| SMILES | CCOC(C(F)=C(C1CC1)C)=O |
| Synonyms | ethyl 3-cyclopropyl-2-fluorobut-2-enoate,
2060523-58-0,
SCHEMBL18554958,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.199g/mol |
| Monoisotopic Mass | 172.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number