| CAS Number | 64258-83-9 |
| Catalog Number | AG01AD0R(AGN-PC-05ICFA) |
| Chemical Name | 3-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,3-dihydro-1H-indol-2-one |
| IUPAC Name | 3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one |
| InChI | InChI=1S/C19H12N2O4/c22-19-16(15-3-1-2-4-17(15)20-19)11-14-9-10-18(25-14)12-5-7-13(8-6-12)21(23)24/h1-11H,(H,20,22) |
| InChI Key | HAOISBSLZUGOAK-UHFFFAOYSA-N |
| MDL Number | MFCD03937407 |
| Molecular Formula | C19H12N2O4 |
| Molecular Weight | 332.3096 |
| SMILES | [O-][N+](C1=CC=C(C2OC(C=C3C4=C(C=CC=C4)NC3=O)=CC=2)C=C1)=O |
| Synonyms | 3-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,3-dihydro-1H-indol-2-one,
64258-83-9,
AC1LIXI4,
AKOS034344163,
MCULE-4737368756,
Z44306007,
3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one,
CID964078,
ZINC00574866,
|
| Complexity | 562 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.315g/mol |
| Monoisotopic Mass | 332.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number