| CAS Number | 353743-43-8 |
| Catalog Number | AG01EVO8(AGN-PC-06POVT) |
| Chemical Name | Ethyl 3-bromo-5-fluorobenzoate |
| IUPAC Name | ethyl 3-bromo-5-fluorobenzoate |
| InChI | InChI=1S/C9H8BrFO2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3 |
| InChI Key | NXLQOVWASVDMHM-UHFFFAOYSA-N |
| MDL Number | MFCD10566820 |
| Molecular Formula | C9H8BrFO2 |
| Molecular Weight | 247.0610 |
| SMILES | C(OCC)(=O)C1=CC(Br)=CC(F)=C1 |
| Synonyms | Ethyl 3-Bromo-5-fluorobenzoate,
353743-43-8,
3-Bromo-5-fluorobenzoic acid ethyl ester,
SCHEMBL670880,
NXLQOVWASVDMHM-UHFFFAOYSA-N,
MFCD10566820,
ZINC35430872,
AKOS009471518,
3-Fluoro-5-bromobenzoic acid ethyl ester,
3-Bromo-5-fluoro-benzoic acid ethyl ester,
Benzoic acid, 3-bromo-5-fluoro-, ethyl ester,
Z-2586,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.063g/mol |
| Monoisotopic Mass | 245.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number