3-(5-Chloro-3-indolyl)propanoic Acid - CAS 54904-22-2
Catalog: |
BB028853 |
Product Name: |
3-(5-Chloro-3-indolyl)propanoic Acid |
CAS: |
54904-22-2 |
Synonyms: |
3-(5-chloro-1H-indol-3-yl)propanoic acid; 3-(5-chloro-1H-indol-3-yl)propanoic acid |
IUPAC Name: | 3-(5-chloro-1H-indol-3-yl)propanoic acid |
Description: | 3-(5-Chloro-3-indolyl)propanoic Acid (CAS# 54904-22-2 ) is a useful research chemical. |
Molecular Weight: | 223.66 |
Molecular Formula: | C11H10ClNO2 |
Canonical SMILES: | C1=CC2=C(C=C1Cl)C(=CN2)CCC(=O)O |
InChI: | InChI=1S/C11H10ClNO2/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: | IUIMRMMVZDAFQI-UHFFFAOYSA-N |
Boiling Point: | 447.9 °C at 760 mmHg |
Density: | 1.417 g/cm3 |
LogP: | 2.83850 |
Publication Number | Title | Priority Date |
WO-2019183358-A2 | Whole cell processes to produce nitroaromatics | 20180321 |
WO-2018081456-A1 | Highly active self-sufficient nitration biocatalysts | 20161026 |
WO-2016134145-A9 | Artificial self-sufficient cytochrome p450s | 20150219 |
AU-2012372019-A1 | Cyclic amide derivatives as inhibitors of 11 - beta - hydroxysteroid dehydrogenase and uses thereof | 20111222 |
DK-2800748-T3 | CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE AND APPLICATIONS THEREOF | 20111222 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0400063 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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