| CAS Number | 1226045-94-8 |
| Catalog Number | AG01FL4X(AGN-PC-3H5LA8) |
| Chemical Name | 7-bromo-5-fluoro-1,3-benzoxazole |
| IUPAC Name | 7-bromo-5-fluoro-1,3-benzoxazole |
| InChI | InChI=1S/C7H3BrFNO/c8-5-1-4(9)2-6-7(5)11-3-10-6/h1-3H |
| InChI Key | GEUJNCMHFBLMJS-UHFFFAOYSA-N |
| MDL Number | MFCD16468547 |
| Molecular Formula | C7H3BrFNO |
| Molecular Weight | 216.0072 |
| SMILES | Fc1cc(Br)c2c(c1)nco2 |
| Synonyms | 7-BROMO-5-FLUORO-1,3-BENZOXAZOLE,
1226045-94-8,
MFCD16468547,
ZINC41568872,
FCH1338767,
PC500297,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.938g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.009g/mol |
| Monoisotopic Mass | 214.938g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number