| CAS Number | 5791-56-0 |
| Catalog Number | AG019T39(AGN-PC-06H7PQ) |
| Chemical Name | 7-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one |
| IUPAC Name | 7-bromo-6-chloro-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C8H5BrClNO2/c9-4-1-7-6(2-5(4)10)11-8(12)3-13-7/h1-2H,3H2,(H,11,12) |
| InChI Key | JBSVOFXWZXRDFG-UHFFFAOYSA-N |
| MDL Number | MFCD11104470 |
| Molecular Formula | C8H5BrClNO2 |
| Molecular Weight | 262.4878 |
| SMILES | BrC=1C(=CC2=C(OCC(N2)=O)C1)Cl |
| Synonyms | 7-bromo-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one,
5791-56-0,
SCHEMBL18264334,
ZINC34974363,
AKOS008125489,
MCULE-8414377425,
NE33979,
7-bromo-6-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one,
7-Bromo-6-chloro-2H-1,4-benzoxazin-3(4H)-one,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.487g/mol |
| Monoisotopic Mass | 260.919g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number