4,7-Dichloroisatin - CAS 18711-13-2
Catalog: |
BB014395 |
Product Name: |
4,7-Dichloroisatin |
CAS: |
18711-13-2 |
Synonyms: |
4,7-dichloro-1H-indole-2,3-dione |
IUPAC Name: | 4,7-dichloro-1H-indole-2,3-dione |
Description: | 4,7-Dichloroisatin (CAS# 18711-13-2) is a useful research chemical. |
Molecular Weight: | 216.02 |
Molecular Formula: | C8H3Cl2NO2 |
Canonical SMILES: | C1=CC(=C2C(=C1Cl)C(=O)C(=O)N2)Cl |
InChI: | InChI=1S/C8H3Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13) |
InChI Key: | NUXYYWOWNFEMNH-UHFFFAOYSA-N |
Melting Point: | 251-254 °C |
Purity: | 95 % |
Density: | 1.643 g/cm3 |
Appearance: | Orange flakes |
MDL: | MFCD00047214 |
LogP: | 2.26620 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110256407-B | Pyrazolone-substituted-3-hydroxyoxindole-containing derivative and preparation method thereof | 20190628 |
WO-2019121357-A1 | Novel quinoline compounds for the treatment and prophylaxis of hepatitis b virus disease | 20171219 |
CN-111511719-A | Quinoline compounds for the treatment and prophylaxis of hepatitis b virus diseases | 20171219 |
EP-3728192-A1 | Novel quinoline compounds for the treatment and prophylaxis of hepatitis b virus disease | 20171219 |
JP-2021506836-A | A novel quinoline compound for the treatment and prevention of hepatitis B viral disease | 20171219 |
PMID | Publication Date | Title | Journal |
17378546 | 20070419 | Selective inhibition of carboxylesterases by isatins, indole-2,3-diones | Journal of medicinal chemistry |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.9540837 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.9540837 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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