Methyl 6-Bromoindole-3-acetate - CAS 152213-63-3
Catalog: |
BB010762 |
Product Name: |
Methyl 6-Bromoindole-3-acetate |
CAS: |
152213-63-3 |
Synonyms: |
2-(6-bromo-1H-indol-3-yl)acetic acid methyl ester; methyl 2-(6-bromo-1H-indol-3-yl)acetate |
IUPAC Name: | methyl 2-(6-bromo-1H-indol-3-yl)acetate |
Description: | Methyl 6-Bromoindole-3-acetate (CAS# 152213-63-3 ) is a useful research chemical. |
Molecular Weight: | 268.11 |
Molecular Formula: | C11H10BrNO2 |
Canonical SMILES: | COC(=O)CC1=CNC2=C1C=CC(=C2)Br |
InChI: | InChI=1S/C11H10BrNO2/c1-15-11(14)4-7-6-13-10-5-8(12)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3 |
InChI Key: | BMFSVEXJEHZDHD-UHFFFAOYSA-N |
LogP: | 2.64590 |
Publication Number | Title | Priority Date |
US-2014213538-A1 | Lysophosphatidic acid receptor antagonists | 20130115 |
WO-2014113485-A1 | Lysophosphatidic acid receptor antagonists | 20130115 |
JP-2011190206-A | Novel indole derivatives and their pharmaceutical use | 20100315 |
AU-2007267692-A1 | Compounds and methods for modulating FXR | 20060524 |
AU-2007267692-B2 | Compounds and methods for modulating FXR | 20060524 |
PMID | Publication Date | Title | Journal |
16252912 | 20051001 | Investigation of brominated tryptophan alkaloids from two thorectidae sponges: Thorectandra and Smenospongia | Journal of natural products |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.98949 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.98949 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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