| CAS Number | 1590410-08-4 |
| Catalog Number | AG00HYIL(AGN-PC-0WR3G5) |
| Chemical Name | 8-Bromo-5-methoxy-2H-pyrido[4,3-b][1,4]oxazin-3(4H)-one |
| IUPAC Name | 8-bromo-5-methoxy-4H-pyrido[4,3-b][1,4]oxazin-3-one |
| InChI | InChI=1S/C8H7BrN2O3/c1-13-8-6-7(4(9)2-10-8)14-3-5(12)11-6/h2H,3H2,1H3,(H,11,12) |
| InChI Key | XGHPXQDPVPGPNM-UHFFFAOYSA-N |
| MDL Number | MFCD28901475 |
| Molecular Formula | C8H7BrN2O3 |
| Molecular Weight | 259.0568 |
| SMILES | COC1=C2NC(=O)COC2=C(Br)C=N1 |
| Synonyms | 8-Bromo-5-methoxy-2H-pyrido[4,3-b][1,4]oxazin-3(4H)-one,
1590410-08-4,
SCHEMBL16475127,
MFCD28901475,
ZINC261508820,
AS-36562,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.059g/mol |
| Monoisotopic Mass | 257.964g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number