Methyl 3-(5-Bromo-3-indolyl)propanoate - CAS 835620-09-2
Catalog: |
BB037055 |
Product Name: |
Methyl 3-(5-Bromo-3-indolyl)propanoate |
CAS: |
835620-09-2 |
Synonyms: |
3-(5-bromo-1H-indol-3-yl)propanoic acid methyl ester; methyl 3-(5-bromo-1H-indol-3-yl)propanoate |
IUPAC Name: | methyl 3-(5-bromo-1H-indol-3-yl)propanoate |
Description: | Methyl 3-(5-Bromo-3-indolyl)propanoate (CAS# 835620-09-2 ) is a useful research chemical. |
Molecular Weight: | 282.13 |
Molecular Formula: | C12H12BrNO2 |
Canonical SMILES: | COC(=O)CCC1=CNC2=C1C=C(C=C2)Br |
InChI: | InChI=1S/C12H12BrNO2/c1-16-12(15)5-2-8-7-14-11-4-3-9(13)6-10(8)11/h3-4,6-7,14H,2,5H2,1H3 |
InChI Key: | WZHMTEXRCOGVCU-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2019154395-A1 | Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof | 20180206 |
EP-3750886-A1 | Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof | 20180206 |
US-2021040066-A1 | Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof | 20180206 |
AU-2006287513-A1 | 1, 3-disubstituted indole derivatives for use as PPAR modulators | 20050907 |
BR-PI0615929-A2 | ppar active compounds, composition, kit and use thereof | 20050907 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.00514 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.00514 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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