4-Chloro-7-fluoroisatin - CAS 954252-18-7
Catalog: |
BB041721 |
Product Name: |
4-Chloro-7-fluoroisatin |
CAS: |
954252-18-7 |
Synonyms: |
4-chloro-7-fluoro-1H-indole-2,3-dione; 4-chloro-7-fluoro-1H-indole-2,3-dione |
IUPAC Name: | 4-chloro-7-fluoro-1H-indole-2,3-dione |
Description: | 4-Chloro-7-fluoroisatin (CAS# 954252-18-7) is a useful research chemical. |
Molecular Weight: | 199.57 |
Molecular Formula: | C8H3ClFNO2 |
Canonical SMILES: | C1=CC(=C2C(=C1F)NC(=O)C2=O)Cl |
InChI: | InChI=1S/C8H3ClFNO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13) |
InChI Key: | JGPDIMCZEPIIMI-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2016358242-A1 | N-substituted indole derivatives as PGE2 receptor modulators | 20151120 |
CA-3002610-A1 | N-substituted indole derivatives as pge2 receptor modulators | 20151120 |
EP-3377483-A1 | N-substituted indole derivatives as pge2 receptor modulators | 20151120 |
JP-2018534328-A | N-substituted indole derivatives as PGE2 receptor modulators | 20151120 |
KR-20180081810-A | N-substituted indole derivatives as PGE2 receptor modulators | 20151120 |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.9836342 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.9836342 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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