| CAS Number | 1094298-71-1 |
| Catalog Number | AG01A582(AGN-PC-0WO239) |
| Chemical Name | 6-bromo-4-(2-chloroethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one |
| IUPAC Name | 6-bromo-4-(2-chloroethyl)-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C10H9BrClNO2/c11-7-1-2-9-8(5-7)13(4-3-12)10(14)6-15-9/h1-2,5H,3-4,6H2 |
| InChI Key | OZSIZAJKVCSLKG-UHFFFAOYSA-N |
| MDL Number | MFCD11206341 |
| Molecular Formula | C10H9BrClNO2 |
| Molecular Weight | 290.5410 |
| SMILES | ClCCN1C2=C(C=CC(=C2)Br)OCC1=O |
| Synonyms | 6-bromo-4-(2-chloroethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one,
1094298-71-1,
ZINC36926360,
AKOS009330506,
NE36018,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.541g/mol |
| Monoisotopic Mass | 288.951g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number