| CAS Number | 1379329-15-3 |
| Catalog Number | AG01C2IW |
| Chemical Name | 3-bromo-6-fluoro-1,2-benzoxazole |
| IUPAC Name | 3-bromo-6-fluoro-1,2-benzoxazole |
| InChI | InChI=1S/C7H3BrFNO/c8-7-5-2-1-4(9)3-6(5)11-10-7/h1-3H |
| InChI Key | GVNWURFIAZOGRY-UHFFFAOYSA-N |
| MDL Number | MFCD18378846 |
| Molecular Formula | C7H3BrFNO |
| Molecular Weight | 216.0072 |
| SMILES | FC1=CC2=C(C(=NO2)Br)C=C1 |
| Synonyms | 3-Bromo-6-fluorobenzo[d]isoxazole,
3-bromo-6-fluoro-1,2-benzoxazole,
1379329-15-3,
SCHEMBL20393972,
ZINC238619210,
|
| 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 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number