| CAS Number | 1154740-66-5 |
| Catalog Number | AG00970L |
| Chemical Name | 6-Bromo-5-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one |
| IUPAC Name | 6-bromo-5-chloro-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C8H5BrClNO2/c9-4-1-2-5-8(7(4)10)11-6(12)3-13-5/h1-2H,3H2,(H,11,12) |
| InChI Key | DTSSBFUGQWFOHI-UHFFFAOYSA-N |
| MDL Number | MFCD28402357 |
| Molecular Formula | C8H5BrClNO2 |
| Molecular Weight | 262.4878 |
| SMILES | O=C1NC2=C(Cl)C(Br)=CC=C2OC1 |
| Synonyms | 1154740-66-5,
6-Bromo-5-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one,
6-Bromo-5-chloro-4H-benzo[1,4]oxazin-3-one,
SCHEMBL3488764,
MFCD28402357,
AKOS024118550,
ZINC200984443,
AS-43396,
|
| 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