3-(6-Fluoro-3-indolyl)propanoic Acid - CAS 141071-78-5
Catalog: |
BB009152 |
Product Name: |
3-(6-Fluoro-3-indolyl)propanoic Acid |
CAS: |
141071-78-5 |
Synonyms: |
3-(6-fluoro-1H-indol-3-yl)propanoic acid; 3-(6-fluoro-1H-indol-3-yl)propanoic acid |
IUPAC Name: | 3-(6-fluoro-1H-indol-3-yl)propanoic acid |
Description: | 3-(6-Fluoro-3-indolyl)propanoic Acid (CAS# 141071-78-5 ) is a useful research chemical. |
Molecular Weight: | 207.20 |
Molecular Formula: | C11H10FNO2 |
Canonical SMILES: | C1=CC2=C(C=C1F)NC=C2CCC(=O)O |
InChI: | InChI=1S/C11H10FNO2/c12-8-2-3-9-7(1-4-11(14)15)6-13-10(9)5-8/h2-3,5-6,13H,1,4H2,(H,14,15) |
InChI Key: | QFAXQZJZPABTFS-UHFFFAOYSA-N |
LogP: | 2.32420 |
Publication Number | Title | Priority Date |
WO-2018081456-A1 | Highly active self-sufficient nitration biocatalysts | 20161026 |
WO-2016134145-A9 | Artificial self-sufficient cytochrome p450s | 20150219 |
EP-2722051-A1 | Monomethylvaline compounds having phenylalanine side-chain modifications at the C-terminus | 20050707 |
EP-1192165-A2 | Substituted heterocycle fused gamma-carbolines | 19990615 |
EP-1192165-B1 | Substituted heterocycle fused gamma-carbolines | 19990615 |
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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