| CAS Number | 944805-23-6 |
| Catalog Number | AG01BETQ(AGN-PC-0WORVA) |
| Chemical Name | 6-Bromo-5-fluoro-2,3-dihydro-1,3-benzoxazol-2-one |
| IUPAC Name | 6-bromo-5-fluoro-3H-1,3-benzoxazol-2-one |
| InChI | InChI=1S/C7H3BrFNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11) |
| InChI Key | FVCBRNQTYMAPPS-UHFFFAOYSA-N |
| MDL Number | MFCD21875892 |
| Molecular Formula | C7H3BrFNO2 |
| Molecular Weight | 232.0066 |
| SMILES | BrC1=CC2=C(NC(O2)=O)C=C1F |
| Synonyms | 6-bromo-5-fluoro-2,3-dihydro-1,3-benzoxazol-2-one,
944805-23-6,
2(3H)-Benzoxazolone, 6-bromo-5-fluoro-,
SCHEMBL4297310,
FVCBRNQTYMAPPS-UHFFFAOYSA-N,
ZINC71481992,
AKOS022530525,
NE30108,
6-bromo-5-fluorobenzo[d]oxazol-2(3H)-one,
6-bromo-5fluoro-1,3-benzoxazol-2(3H)-one,
6-bromo-5-fluoro-1,3-benzoxazol-2(3H)-one,
Z1881598039,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.008g/mol |
| Monoisotopic Mass | 230.933g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number