| CAS Number | 448216-77-1 |
| Catalog Number | AG01BVP9(AGN-PC-0RT9EI) |
| Chemical Name | ethyl 2-bromo-3-(4-fluorophenyl)propanoate |
| IUPAC Name | ethyl 2-bromo-3-(4-fluorophenyl)propanoate |
| InChI | InChI=1S/C11H12BrFO2/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3 |
| InChI Key | QLVWDFCNACXBIB-UHFFFAOYSA-N |
| MDL Number | MFCD01910062 |
| Molecular Formula | C11H12BrFO2 |
| Molecular Weight | 275.1142 |
| SMILES | CCOC(C(CC1=CC=C(F)C=C1)Br)=O |
| Synonyms | Ethyl 2-bromo-3-(4-fluorophenyl)propanoate,
448216-77-1,
AC1NHBKP,
AKOS002663177,
AKOS016042962,
CID4737536,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.117g/mol |
| Monoisotopic Mass | 274g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number