4-(Trifluoromethyl)indole-3-carboxylic Acid - CAS 959238-76-7
Catalog: |
BB041904 |
Product Name: |
4-(Trifluoromethyl)indole-3-carboxylic Acid |
CAS: |
959238-76-7 |
Synonyms: |
4-(trifluoromethyl)-1H-indole-3-carboxylic acid; 4-(trifluoromethyl)-1H-indole-3-carboxylic acid |
IUPAC Name: | 4-(trifluoromethyl)-1H-indole-3-carboxylic acid |
Description: | 4-(Trifluoromethyl)indole-3-carboxylic Acid (CAS# 959238-76-7 ) is a useful research chemical. |
Molecular Weight: | 229.16 |
Molecular Formula: | C10H6F3NO2 |
Canonical SMILES: | C1=CC(=C2C(=C1)NC=C2C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C10H6F3NO2/c11-10(12,13)6-2-1-3-7-8(6)5(4-14-7)9(15)16/h1-4,14H,(H,15,16) |
InChI Key: | ZXHZBUBUBCCBBT-UHFFFAOYSA-N |
LogP: | 2.88490 |
Publication Number | Title | Priority Date |
JP-2017524736-A | Quinuclidine compounds for modulating alpha 7-nicotinic acetylcholine receptor activity | 20140711 |
TW-201617342-A | Acridine which regulates α7 activity | 20140711 |
US-2016009706-A1 | Quinuclidines for modulating alpha 7 activity | 20140711 |
US-2017166561-A1 | Quinuclidine compounds for modulating alpha7-nicotinic acetylcholine receptor activity | 20140711 |
US-9434724-B2 | Quinuclidines for modulating alpha 7 activity | 20140711 |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.03506292 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.03506292 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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