6-Bromo-4-nitro-1H-indole - CAS 885520-50-3
Catalog: |
BB038985 |
Product Name: |
6-Bromo-4-nitro-1H-indole |
CAS: |
885520-50-3 |
Synonyms: |
6-bromo-4-nitro-1H-indole; 6-bromo-4-nitro-1H-indole |
IUPAC Name: | 6-bromo-4-nitro-1H-indole |
Description: | 6-Bromo-4-nitro-1H-indole (CAS# 885520-50-3) is a useful research chemical. |
Molecular Weight: | 241.04 |
Molecular Formula: | C8H5BrN2O2 |
Canonical SMILES: | C1=CNC2=CC(=CC(=C21)[N+](=O)[O-])Br |
InChI: | InChI=1S/C8H5BrN2O2/c9-5-3-7-6(1-2-10-7)8(4-5)11(12)13/h1-4,10H |
InChI Key: | OJCSAZREHRCISJ-UHFFFAOYSA-N |
LogP: | 3.36180 |
Publication Number | Title | Priority Date |
WO-2019109057-A1 | Pyridinone-based epigenetic modifiers and uses thereof | 20171201 |
CN-111727189-A | Pyridone-based epigenetic modifiers and uses thereof | 20171201 |
EP-3717487-A1 | Pyridinone-based epigenetic modifiers and uses thereof | 20171201 |
US-2021002272-A1 | Pyridinone-based epigenetic modifiers and uses thereof | 20171201 |
US-2017050968-A1 | Bromodomain inhibitor | 20150415 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.95344 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.95344 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 61.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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