| CAS Number | 1341116-74-2 |
| Catalog Number | AG01DVAH |
| Chemical Name | 5-bromo-2-ethyl-7-fluoro-2,3-dihydro-1-benzofuran-3-one |
| IUPAC Name | 5-bromo-2-ethyl-7-fluoro-1-benzofuran-3-one |
| InChI | InChI=1S/C10H8BrFO2/c1-2-8-9(13)6-3-5(11)4-7(12)10(6)14-8/h3-4,8H,2H2,1H3 |
| InChI Key | POJVWPXRIVRABG-UHFFFAOYSA-N |
| MDL Number | MFCD20383548 |
| Molecular Formula | C10H8BrFO2 |
| Molecular Weight | 259.0717 |
| SMILES | CCC1C(=O)C2=CC(=CC(F)=C2O1)Br |
| Synonyms | 5-bromo-2-ethyl-7-fluorobenzofuran-3(2H)-one,
1341116-74-2,
AKOS013989867,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.074g/mol |
| Monoisotopic Mass | 257.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number