| CAS Number | 1240529-30-9 |
| Catalog Number | AG01A9CD(AGN-PC-0WO1RQ) |
| Chemical Name | 3-(Bromomethyl)-6-fluoro-1-methyl-1,2-dihydroquinoxalin-2-one |
| IUPAC Name | 3-(bromomethyl)-6-fluoro-1-methylquinoxalin-2-one |
| InChI | InChI=1S/C10H8BrFN2O/c1-14-9-3-2-6(12)4-7(9)13-8(5-11)10(14)15/h2-4H,5H2,1H3 |
| InChI Key | KATIFUJYXJCQTN-UHFFFAOYSA-N |
| MDL Number | MFCD16547717 |
| Molecular Formula | C10H8BrFN2O |
| Molecular Weight | 271.0857 |
| SMILES | CN1C2=C(C=C(C=C2)F)N=C(CBr)C1=O |
| Synonyms | 3-(bromomethyl)-6-fluoro-1-methyl-1,2-dihydroquinoxalin-2-one,
1240529-30-9,
3-(Bromomethyl)-6-fluoro-1-methylquinoxalin-2(1H)-one,
AC1Q3XP3,
ZINC47844242,
AKOS026726659,
NE15997,
EN300-64703,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.089g/mol |
| Monoisotopic Mass | 269.98g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number