Ethyl 5-Fluoroindole-3-acetate - CAS 319-69-7
Catalog: |
BB021118 |
Product Name: |
Ethyl 5-Fluoroindole-3-acetate |
CAS: |
319-69-7 |
Synonyms: |
2-(5-fluoro-1H-indol-3-yl)acetic acid ethyl ester; ethyl 2-(5-fluoro-1H-indol-3-yl)acetate |
IUPAC Name: | ethyl 2-(5-fluoro-1H-indol-3-yl)acetate |
Description: | Ethyl 5-Fluoroindole-3-acetate (CAS# 319-69-7) is a highly potent β2-selective adrenoceptor agonist having a long-lasting bronchodilating effect. |
Molecular Weight: | 221.23 |
Molecular Formula: | C12H12FNO2 |
Canonical SMILES: | CCOC(=O)CC1=CNC2=C1C=C(C=C2)F |
InChI: | InChI=1S/C12H12FNO2/c1-2-16-12(15)5-8-7-14-11-4-3-9(13)6-10(8)11/h3-4,6-7,14H,2,5H2,1H3 |
InChI Key: | FYNLEVUFIFSEEW-UHFFFAOYSA-N |
LogP: | 2.41260 |
Publication Number | Title | Priority Date |
WO-2016054807-A1 | TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | 20141010 |
EP-1928860-A1 | Novel 2,3-dihydroindole compounds | 20050817 |
JP-2009504691-A | New 2,3-dihydroindole compounds | 20050817 |
US-2007043058-A1 | Novel 2,3-dihydroindole compounds | 20050817 |
US-7544685-B2 | 2,3-dihydroindole compounds | 20050817 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.08520679 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.08520679 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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