| CAS Number | 312538-03-7 |
| Catalog Number | AG01E443 |
| Chemical Name | IQ3 |
| IUPAC Name | (indeno[1,2-b]quinoxalin-11-ylideneamino) furan-2-carboxylate |
| InChI | InChI=1S/C20H11N3O3/c24-20(16-10-5-11-25-16)26-23-18-13-7-2-1-6-12(13)17-19(18)22-15-9-4-3-8-14(15)21-17/h1-11H |
| InChI Key | WBSWWONMTZEOGS-UHFFFAOYSA-N |
| MDL Number | MFCD27991270 |
| Molecular Formula | C20H11N3O3 |
| Molecular Weight | 341.3196 |
| SMILES | O1C(=CC=C1)C(=O)ON=C1C2=CC=CC=C2C2=NC=3C=CC=CC3N=C21 |
| Synonyms | IQ 3,
312538-03-7,
AC1LFGL5,
(indeno[1,2-b]quinoxalin-11-ylideneamino) furan-2-carboxylate,
CID777728,
ZINC04525145,
|
| Complexity | 581 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.326g/mol |
| Monoisotopic Mass | 341.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number