Benzo[e]isatin - CAS 5588-87-4
Catalog: |
BB029212 |
Product Name: |
Benzo[e]isatin |
CAS: |
5588-87-4 |
Synonyms: |
3H-benzo[e]indole-1,2-dione; 3H-benzo[e]indole-1,2-dione |
IUPAC Name: | 3H-benzo[e]indole-1,2-dione |
Description: | Benzo[e]isatin (CAS# 5588-87-4) is a useful research chemical compound. |
Molecular Weight: | 197.19 |
Molecular Formula: | C12H7NO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=O)N3 |
InChI: | InChI=1S/C12H7NO2/c14-11-10-8-4-2-1-3-7(8)5-6-9(10)13-12(11)15/h1-6H,(H,13,14,15) |
InChI Key: | RVZFBDVLNFODOM-UHFFFAOYSA-N |
Density: | 1.391 g/cm3 |
LogP: | 2.11260 |
Publication Number | Title | Priority Date |
EP-2436669-A2 | Novel preparation of anticancer-active tricyclic compounds via alkyne coupling reaction | 20100929 |
EP-2436669-B1 | Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction | 20100929 |
JP-2012092083-A | Novel production method of anticancer active tricyclic compounds by alkyne coupling | 20100929 |
JP-5208239-B2 | Novel production method of anticancer active tricyclic compounds by alkyne coupling | 20100929 |
US-2012077986-A1 | Novel preparation of anticancer-active tricyclic compounds via alkyne coupling reaction | 20100929 |
PMID | Publication Date | Title | Journal |
21172726 | 20110201 | Synthesis and biological activity of 7H-benzo[4,5]indolo[2,3-b]-quinoxaline derivatives | European journal of medicinal chemistry |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.047678466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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