4,7-Difluoroisatin - CAS 749240-52-6
Catalog: |
BB035189 |
Product Name: |
4,7-Difluoroisatin |
CAS: |
749240-52-6 |
Synonyms: |
4,7-difluoro-1H-indole-2,3-dione; 4,7-difluoro-1H-indole-2,3-dione |
IUPAC Name: | 4,7-difluoro-1H-indole-2,3-dione |
Description: | 4,7-Difluoroisatin (CAS# 749240-52-6) is a useful research chemical. |
Molecular Weight: | 183.11 |
Molecular Formula: | C8H3F2NO2 |
Canonical SMILES: | C1=CC(=C2C(=C1F)C(=O)C(=O)N2)F |
InChI: | InChI=1S/C8H3F2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13) |
InChI Key: | ZHGOEPJMKPVIRT-UHFFFAOYSA-N |
Appearance: | Orange powder |
LogP: | 1.23760 |
Publication Number | Title | Priority Date |
JP-2018150285-A | Method for producing isatin compound | 20170314 |
CA-2918925-A1 | Indol and indazol derivatives | 20130927 |
EP-3049391-A1 | Indol and indazol derivatives | 20130927 |
EP-3049391-B1 | Indole and indazole derivatives | 20130927 |
JP-2016534026-A | Indole and indazole derivatives | 20130927 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.01318466 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.01318466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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