Methyl 5-Chloroindole-3-acetate - CAS 74339-45-0
Catalog: |
BB035066 |
Product Name: |
Methyl 5-Chloroindole-3-acetate |
CAS: |
74339-45-0 |
Synonyms: |
2-(5-chloro-1H-indol-3-yl)acetic acid methyl ester; methyl 2-(5-chloro-1H-indol-3-yl)acetate |
IUPAC Name: | methyl 2-(5-chloro-1H-indol-3-yl)acetate |
Description: | Methyl 5-Chloroindole-3-acetate (CAS# 74339-45-0 ) is a useful research chemical. |
Molecular Weight: | 223.66 |
Molecular Formula: | C11H10ClNO2 |
Canonical SMILES: | COC(=O)CC1=CNC2=C1C=C(C=C2)Cl |
InChI: | InChI=1S/C11H10ClNO2/c1-15-11(14)4-7-6-13-10-3-2-8(12)5-9(7)10/h2-3,5-6,13H,4H2,1H3 |
InChI Key: | QLTNJBDKTUWQFP-UHFFFAOYSA-N |
LogP: | 2.53680 |
Publication Number | Title | Priority Date |
WO-2019046668-A1 | AMIDE-SUBSTITUTED THIAZOLES AS INHIBITORS OF SECRETIC PROTEIN | 20170831 |
JP-2013545781-A | Dimer IAP inhibitor | 20101213 |
JP-2011190206-A | Novel indole derivatives and their pharmaceutical use | 20100315 |
WO-2010150837-A1 | Indoline derivative | 20090625 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0400063 |
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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