| CAS Number | 1505665-00-8 |
| Catalog Number | AG01AP60 |
| Chemical Name | ethyl 4-bromo-5-chloro-2-fluorobenzoate |
| IUPAC Name | ethyl 4-bromo-5-chloro-2-fluorobenzoate |
| InChI | InChI=1S/C9H7BrClFO2/c1-2-14-9(13)5-3-7(11)6(10)4-8(5)12/h3-4H,2H2,1H3 |
| InChI Key | UUPTUDXKEGHBEZ-UHFFFAOYSA-N |
| MDL Number | MFCD24108528 |
| Molecular Formula | C9H7BrClFO2 |
| Molecular Weight | 281.5061 |
| SMILES | CCOC(C1=C(F)C=C(Br)C(Cl)=C1)=O |
| Synonyms | ethyl 4-bromo-5-chloro-2-fluorobenzoate,
1505665-00-8,
AKOS020023618,
ZINC162708589,
Z2235330296,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.505g/mol |
| Monoisotopic Mass | 279.93g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number