1-Acetyl-5-nitroindoline - CAS 33632-27-8
Catalog: |
BB021807 |
Product Name: |
1-Acetyl-5-nitroindoline |
CAS: |
33632-27-8 |
Synonyms: |
1-(5-nitro-2,3-dihydroindol-1-yl)ethanone |
IUPAC Name: | 1-(5-nitro-2,3-dihydroindol-1-yl)ethanone |
Description: | 1-Acetyl-5-nitroindoline (CAS# 33632-27-8) is a useful research chemical compound. |
Molecular Weight: | 206.20 |
Molecular Formula: | C10H10N2O3 |
Canonical SMILES: | CC(=O)N1CCC2=C1C=CC(=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-3,6H,4-5H2,1H3 |
InChI Key: | OJKKTNFCWMBYMT-UHFFFAOYSA-N |
Boiling Point: | 466.4 °C at 760 mmHg |
Density: | 1.35 g/cm3 |
Appearance: | Yellow to beige crystalline powder |
MDL: | MFCD00005811 |
LogP: | 2.09200 |
Publication Number | Title | Priority Date |
JP-2018511626-A | Bromodomain inhibitor | 20150415 |
KR-20170135938-A | Bromo domain inhibitors | 20150415 |
TW-201643153-A | Bromine domain inhibitor | 20150415 |
US-10494371-B2 | Bromodomain inhibitors | 20150415 |
US-2017050968-A1 | Bromodomain inhibitor | 20150415 |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.06914219 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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