3-(5-Fluoro-3-indolyl)propanoic Acid - CAS 7394-78-7
Catalog: |
BB034958 |
Product Name: |
3-(5-Fluoro-3-indolyl)propanoic Acid |
CAS: |
7394-78-7 |
Synonyms: |
3-(5-fluoro-1H-indol-3-yl)propanoic acid; 3-(5-fluoro-1H-indol-3-yl)propanoic acid |
IUPAC Name: | 3-(5-fluoro-1H-indol-3-yl)propanoic acid |
Description: | 3-(5-Fluoro-3-indolyl)propanoic Acid (CAS# 7394-78-7) is a useful research chemical. |
Molecular Weight: | 207.20 |
Molecular Formula: | C11H10FNO2 |
Canonical SMILES: | C1=CC2=C(C=C1F)C(=CN2)CCC(=O)O |
InChI: | InChI=1S/C11H10FNO2/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15/h2-3,5-6,13H,1,4H2,(H,14,15) |
InChI Key: | VWGFABPQHOAUQY-UHFFFAOYSA-N |
LogP: | 2.32420 |
Publication Number | Title | Priority Date |
US-2021163413-A1 | (e)-4-(4-acrylamidophenoxy)-n-methylpicolinamide conjugates as potential anticancer agents | 20160120 |
TW-201643158-A | Isoxazole derivative as mutated isocitrate dehydrogenase 1 inhibitor | 20150609 |
AU-2015325279-A1 | Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor | 20141001 |
AU-2015325279-B2 | Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor | 20141001 |
EP-3202766-A1 | Isoxazole derivative as mutated isocitrate dehydrogenase 1 inhibitor | 20141001 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.06955672 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.06955672 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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