| CAS Number | 880545-25-5 |
| Catalog Number | AG00IEV2(AGN-PC-0OLFLB) |
| Chemical Name | 6-Bromo-7-chloro-2,4-dihydro-1,4-benzoxazin-3-one |
| IUPAC Name | 6-bromo-7-chloro-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C8H5BrClNO2/c9-4-1-6-7(2-5(4)10)13-3-8(12)11-6/h1-2H,3H2,(H,11,12) |
| InChI Key | GDWSWKKSEYXCQB-UHFFFAOYSA-N |
| MDL Number | MFCD24153903 |
| Molecular Formula | C8H5BrClNO2 |
| Molecular Weight | 262.4878 |
| SMILES | O=C1COc2c(N1)cc(c(c2)Cl)Br |
| Synonyms | 6-Bromo-7-chloro-2,4-dihydro-1,4-benzoxazin-3-one,
880545-25-5,
AKOS020299514,
|
| 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 |
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Certificate of Analysis
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