| CAS Number | 1564543-52-7 |
| Catalog Number | AG01B9GG |
| Chemical Name | Ethyl 5-bromo-4-fluoro-2-methylbenzoate |
| IUPAC Name | ethyl 5-bromo-4-fluoro-2-methylbenzoate |
| InChI | InChI=1S/C10H10BrFO2/c1-3-14-10(13)7-5-8(11)9(12)4-6(7)2/h4-5H,3H2,1-2H3 |
| InChI Key | ALPDZZBGNONNMI-UHFFFAOYSA-N |
| MDL Number | MFCD26863046 |
| Molecular Formula | C10H10BrFO2 |
| Molecular Weight | 261.0876 |
| SMILES | CCOC(C1=C(C)C=C(F)C(Br)=C1)=O |
| Synonyms | ethyl 5-bromo-4-fluoro-2-methylbenzoate,
1564543-52-7,
ZINC159876477,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.09g/mol |
| Monoisotopic Mass | 259.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number