2,2,2-Trifluoro-1-(5-nitro-3-indolyl)ethanone - CAS 101832-10-4
Catalog: |
BB000667 |
Product Name: |
2,2,2-Trifluoro-1-(5-nitro-3-indolyl)ethanone |
CAS: |
101832-10-4 |
Synonyms: |
2,2,2-trifluoro-1-(5-nitro-1H-indol-3-yl)ethanone; 2,2,2-trifluoro-1-(5-nitro-1H-indol-3-yl)ethanone |
IUPAC Name: | 2,2,2-trifluoro-1-(5-nitro-1H-indol-3-yl)ethanone |
Description: | 2,2,2-Trifluoro-1-(5-nitro-3-indolyl)ethanone (CAS# 101832-10-4 ) is a useful research chemical. |
Molecular Weight: | 258.15 |
Molecular Formula: | C10H5F3N2O3 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C(=O)C(F)(F)F |
InChI: | InChI=1S/C10H5F3N2O3/c11-10(12,13)9(16)7-4-14-8-2-1-5(15(17)18)3-6(7)8/h1-4,14H |
InChI Key: | PUZBKXUISZMSFP-UHFFFAOYSA-N |
Boiling Point: | 400.4 °C at 760 mmHg |
Density: | 1.597 g/cm3 |
LogP: | 3.34430 |
Publication Number | Title | Priority Date |
US-10660876-B2 | Amino compounds for treatment of medical disorders | 20150826 |
US-2018177761-A1 | Amino compounds for treatment of medical disorders | 20150826 |
WO-2017035351-A1 | Amino compounds for treatment of medical disorders | 20150826 |
CA-2681124-A1 | New substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions | 20070316 |
DE-102007012284-A1 | Novel substituted arylsulfonylglycines, their preparation and their use as pharmaceuticals | 20070316 |
Complexity: | 366 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.02522651 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.02522651 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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