1-(4-Chloro-3-indolyl)-2,2,2-trifluoroethanone - CAS 1119282-66-4
Catalog: |
BB002827 |
Product Name: |
1-(4-Chloro-3-indolyl)-2,2,2-trifluoroethanone |
CAS: |
1119282-66-4 |
Synonyms: |
1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone; 1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone |
IUPAC Name: | 1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone |
Description: | 1-(4-Chloro-3-indolyl)-2,2,2-trifluoroethanone (CAS# 1119282-66-4 ) is a useful research chemical. |
Molecular Weight: | 247.60 |
Molecular Formula: | C10H5ClF3NO |
Canonical SMILES: | C1=CC2=C(C(=C1)Cl)C(=CN2)C(=O)C(F)(F)F |
InChI: | InChI=1S/C10H5ClF3NO/c11-6-2-1-3-7-8(6)5(4-15-7)9(16)10(12,13)14/h1-4,15H |
InChI Key: | BJHNBWVRFDXMNQ-UHFFFAOYSA-N |
LogP: | 3.56630 |
Publication Number | Title | Priority Date |
AU-2015362700-A1 | Indole and azaindoles derivatives and their use in neurodegenerative diseases | 20141215 |
EP-3233841-A1 | Indole and azaindoles derivatives and their use in neurodegenerative diseases | 20141215 |
JP-2017537982-A | Indole and azaindole derivatives and their use in neurodegenerative diseases | 20141215 |
JP-6673932-B2 | Indole and azaindole derivatives and their use in neurodegenerative diseases | 20141215 |
US-10323000-B2 | Indole derivatives and their use in neurodegenerative diseases | 20141215 |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.001176 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.001176 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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