| CAS Number | 581778-88-3 |
| Catalog Number | AG00IACR(AGN-PC-0OCONW) |
| Chemical Name | Ethyl (2E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate |
| IUPAC Name | ethyl (E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate |
| InChI | InChI=1S/C11H10BrFO2/c1-2-15-11(14)6-4-8-3-5-9(12)7-10(8)13/h3-7H,2H2,1H3/b6-4+ |
| InChI Key | IOEPXDFITGTNSL-GQCTYLIASA-N |
| MDL Number | MFCD22124739 |
| Molecular Formula | C11H10BrFO2 |
| Molecular Weight | 273.0983 |
| SMILES | CCOC(/C=C/C1=C(F)C=C(Br)C=C1)=O |
| Synonyms | Ethyl (2E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate,
581778-88-3,
SCHEMBL2196430,
IOEPXDFITGTNSL-GQCTYLIASA-N,
ZINC118273279,
(E)-Ethyl 3-(4-bromo-2-fluorophenyl)acrylate,
(2e)-3-(4-bromo-2-fluorophenyl)-2-propenoic acid, ethyl ester,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| 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 | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number