4,5-Diazafluoren-9-one - CAS 50890-67-0
Catalog: |
BB027246 |
Product Name: |
4,5-Diazafluoren-9-one |
CAS: |
50890-67-0 |
Synonyms: |
3,13-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-8-one; 3,13-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-8-one |
IUPAC Name: | 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one |
Description: | 5H-Cyclopenta[2,1-b:3,4-b']dipyridin-5-one and it's metal complexes exhibits growth inhibitory effect on human carcinoma cells. |
Molecular Weight: | 182.18 |
Molecular Formula: | C11H6N2O |
Canonical SMILES: | C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1 |
InChI: | InChI=1S/C11H6N2O/c14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10/h1-6H |
InChI Key: | PFMTUGNLBQSHQC-UHFFFAOYSA-N |
Boiling Point: | 214-217 °C (lit.) |
Density: | 1.387 g/cm3 |
MDL: | MFCD00046892 |
LogP: | 1.68800 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22719589 | 20120601 | 9-Phenyl-4,5-diaza-9H-fluoren-9-ol monohydrate | Acta crystallographica. Section E, Structure reports online |
22421791 | 20120315 | Oxime esters of 2,6-diazaanthracene-9,10-dione and 4,5-diazafluoren-9-one as photo-induced DNA-cleaving agents | Molecules (Basel, Switzerland) |
22199547 | 20111201 | Bis[5-(pyridin-2-yl)pyrazine-2-carbo-nitrile-κN,N]silver(I) perchlorate | Acta crystallographica. Section E, Structure reports online |
22058833 | 20110901 | (4,5-Diaza-fluoren-9-one-κN,N')bis-(1H-imidazole-κN)bis-(thio-cyanato-κN)cobalt(II) | Acta crystallographica. Section E, Structure reports online |
21589259 | 20101113 | Triaqua-(benzene-1,3-dicarboxyl-ato)(4,5-diaza-fluoren-9-one)cadmium(II) penta-hydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.048012819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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