| CAS Number | 877825-76-8 |
| Catalog Number | AG019PJ6 |
| Chemical Name | 7-nitro-3-(pyrrolidin-1-yl)-1,2-dihydroquinoxalin-2-one |
| IUPAC Name | 7-nitro-3-pyrrolidin-1-yl-1H-quinoxalin-2-one |
| InChI | InChI=1S/C12H12N4O3/c17-12-11(15-5-1-2-6-15)13-9-4-3-8(16(18)19)7-10(9)14-12/h3-4,7H,1-2,5-6H2,(H,14,17) |
| InChI Key | LXXAGVDGBLIDTC-UHFFFAOYSA-N |
| MDL Number | MFCD07847857 |
| Molecular Formula | C12H12N4O3 |
| Molecular Weight | 260.2487 |
| SMILES | [O-][N+](C1=CC2=C(N=C(C(N2)=O)N2CCCC2)C=C1)=O |
| Synonyms | 7-nitro-3-(pyrrolidin-1-yl)-1,2-dihydroquinoxalin-2-one,
877825-76-8,
7-nitro-3-pyrrolidin-1-ylquinoxalin-2(1H)-one,
AC1Q1Y56,
CTK5I3517,
ZINC7943157,
AKOS033544120,
MCULE-1656153722,
NE32658,
EN300-23898,
Z168883390,
|
| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.253g/mol |
| Monoisotopic Mass | 260.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 90.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number