| CAS Number | 1171825-32-3 |
| Catalog Number | AG00IXLL(AGN-PC-0WB2RY) |
| Chemical Name | Ethyl (2E)-3-(2-bromo-4-fluorophenyl)prop-2-enoate |
| IUPAC Name | ethyl 3-(2-bromo-4-fluorophenyl)prop-2-enoate |
| InChI | InChI=1S/C11H10BrFO2/c1-2-15-11(14)6-4-8-3-5-9(13)7-10(8)12/h3-7H,2H2,1H3 |
| InChI Key | SMUPSFNKVDBKSI-UHFFFAOYSA-N |
| MDL Number | MFCD28347884 |
| Molecular Formula | C11H10BrFO2 |
| Molecular Weight | 273.0983 |
| SMILES | [Br]C1(=C(C=CC(=C1)F)C=CC(=O)OCC) |
| Synonyms | ethyl (2E)-3-(2-bromo-4-fluorophenyl)prop-2-enoate,
1171825-32-3,
CTK6F2801,
KS-00002BF5,
AKOS030253665,
ETHYL (2E)-3-(2-BROMO-4-FLUOROPHENYL)ACRYLATE,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.101g/mol |
| Monoisotopic Mass | 271.985g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number