4,5-Dichloroindole - CAS 122509-73-3
Catalog: |
BB005414 |
Product Name: |
4,5-Dichloroindole |
CAS: |
122509-73-3 |
Synonyms: |
4,5-dichloro-1H-indole; 4,5-dichloro-1H-indole |
IUPAC Name: | 4,5-dichloro-1H-indole |
Description: | 4,5-Dichloroindole (CAS# 122509-73-3) is a useful research chemical. |
Molecular Weight: | 186.04 |
Molecular Formula: | C8H5Cl2N |
Canonical SMILES: | C1=CC(=C(C2=C1NC=C2)Cl)Cl |
InChI: | InChI=1S/C8H5Cl2N/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4,11H |
InChI Key: | MUWQPYPTCAUUGM-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 3.47470 |
Publication Number | Title | Priority Date |
WO-2020061470-A1 | Novel quinazoline egfr inhibitors | 20180921 |
US-2020199118-A1 | Antibacterial compounds | 20170316 |
WO-2018167506-A1 | Antibacterial compounds | 20170316 |
EP-2197842-A1 | 2, 3-substituted indole derivatives for treating viral infections | 20070829 |
EP-2197842-B1 | 2, 3-substituted indole derivatives for treating viral infections | 20070829 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.9799046 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.9799046 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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