| CAS Number | 1780516-88-2 |
| Catalog Number | AG01BI4L |
| Chemical Name | 5-amino-7-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-one |
| IUPAC Name | 5-amino-7-bromo-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C8H7BrN2O2/c9-4-1-5(10)8-6(2-4)13-3-7(12)11-8/h1-2H,3,10H2,(H,11,12) |
| InChI Key | FPHIJATXUJPVGN-UHFFFAOYSA-N |
| MDL Number | MFCD28591941 |
| Molecular Formula | C8H7BrN2O2 |
| Molecular Weight | 243.0574 |
| SMILES | NC1=C2C(OCC(N2)=O)=CC(Br)=C1 |
| Synonyms | 5-amino-7-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-one,
1780516-88-2,
AKOS024172851,
ZINC222490602,
Z2805897410,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.06g/mol |
| Monoisotopic Mass | 241.969g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number