| CAS Number | 1260829-35-3 |
| Catalog Number | AG01ELQE |
| Chemical Name | 7-bromo-6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-one |
| IUPAC Name | 7-bromo-6-fluoro-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C8H5BrFNO2/c9-4-1-7-6(2-5(4)10)11-8(12)3-13-7/h1-2H,3H2,(H,11,12) |
| InChI Key | NZRPDUBLDNECDR-UHFFFAOYSA-N |
| MDL Number | MFCD13178301 |
| Molecular Formula | C8H5BrFNO2 |
| Molecular Weight | 246.0332 |
| SMILES | FC1=C(Br)C=C2C(NC(CO2)=O)=C1 |
| Synonyms | SCHEMBL5914785,
NZRPDUBLDNECDR-UHFFFAOYSA-N,
ZINC126435088,
7-bromo-6-fluoro-4h-benz[1,4]oxazin-3-one,
7-bromo-6-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one,
7-bromo-6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-one,
1260829-35-3,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.035g/mol |
| Monoisotopic Mass | 244.949g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number