5-Fluoroisatin - CAS 443-69-6
Catalog: |
BB025576 |
Product Name: |
5-Fluoroisatin |
CAS: |
443-69-6 |
Synonyms: |
5-fluoro-1H-indole-2,3-dione |
IUPAC Name: | 5-fluoro-1H-indole-2,3-dione |
Description: | It showed antibacterial and antifungal activities. |
Molecular Weight: | 165.12 |
Molecular Formula: | C8H4FNO2 |
Canonical SMILES: | C1=CC2=C(C=C1F)C(=O)C(=O)N2 |
InChI: | InChI=1S/C8H4FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12) |
InChI Key: | GKODDAXOSGGARJ-UHFFFAOYSA-N |
Boiling Point: | 417.9 °C at 760 mmHg |
Density: | 1.446 g/cm3 |
MDL: | MFCD00022795 |
LogP: | 1.09850 |
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 |
Publication Number | Title | Priority Date |
CN-113061098-A | Amide compound and derivative thereof, preparation method, pharmaceutical composition and application | 20210118 |
CN-112538041-A | Bimolecular indole-2, 3-dione derivative and application thereof | 20201207 |
CN-112441989-A | Preparation method and application of flumazenil intermediate 5-fluoroisatoic anhydride | 20201116 |
CN-112321571-A | 2-furan-quinoline-4-formamide compound and application thereof | 20201027 |
CN-112079764-A | Synthesis method of sunitinib intermediate 5-fluoroindole-2-ketone | 20201012 |
PMID | Publication Date | Title | Journal |
22412623 | 20120301 | 5-Fluoro-6'H,7'H,8'H-spiro-[indoline-3,7'-pyrano[3,2-c:5,6-c']di-1-benzopyran]-2,6',8'-trione | Acta crystallographica. Section E, Structure reports online |
22346926 | 20120201 | (Z)-2-(5-Fluoro-2-oxoindolin-3-yl-idene)-N-phenyl-hydrazinecarbothio-amide | Acta crystallographica. Section E, Structure reports online |
21838297 | 20110928 | Chemical synthesis, in vitro acetohydroxyacid synthase (AHAS) inhibition, herbicidal activity, and computational studies of isatin derivatives | Journal of agricultural and food chemistry |
21837201 | 20110701 | 5-Fluoro-1-(4-meth-oxy-benz-yl)indoline-2,3-dione | Acta crystallographica. Section E, Structure reports online |
21754090 | 20110401 | 5''-(4-Chloro-benzyl-idene)-4'-(4-chloro-phen-yl)-5-fluoro-1',1''-dimethyl-indoline-3-spiro-2'-pyrrolidine-3'-spiro-3''-piperidine-2,4''-dione | Acta crystallographica. Section E, Structure reports online |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.02260653 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.02260653 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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