| CAS Number | 281192-95-8 |
| Catalog Number | AG00396B(AGN-PC-0O8K0B) |
| Chemical Name | N-ethyl-7-azaisatin |
| IUPAC Name | 1-ethylpyrrolo[2,3-b]pyridine-2,3-dione |
| InChI | InChI=1S/C9H8N2O2/c1-2-11-8-6(4-3-5-10-8)7(12)9(11)13/h3-5H,2H2,1H3 |
| InChI Key | KZNALZYBNJOBNB-UHFFFAOYSA-N |
| MDL Number | MFCD19690326 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | C(C)N1C(=O)C(=O)C2=CC=CN=C12 |
| Synonyms | 281192-95-8,
N-ethyl-7-azaisatin,
1-Ethyl-1H-pyrrolo[2,3-b]pyridine-2,3-dione,
1H-Pyrrolo[2,3-b]pyridine-2,3-dione, 1-ethyl-,
SCHEMBL19297675,
1-Ethyl-7-azaindoline-2,3-dione,
MFCD19690326,
ZINC89222027,
AKOS027338817,
KS-0000009C,
1h-pyrrolo[2,3-b]pyridine-2,3-dione,1-ethyl-,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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