5-Chloro-2-methyl-1H-indole-3-acetic Acid - CAS 19017-52-8
Catalog: |
BB014702 |
Product Name: |
5-Chloro-2-methyl-1H-indole-3-acetic Acid |
CAS: |
19017-52-8 |
Synonyms: |
2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid; 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid |
IUPAC Name: | 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid |
Description: | 5-Chloro-2-methyl-1H-indole-3-acetic Acid (CAS# 19017-52-8) is a useful research chemical. |
Molecular Weight: | 223.66 |
Molecular Formula: | C11H10ClNO2 |
Canonical SMILES: | CC1=C(C2=C(N1)C=CC(=C2)Cl)CC(=O)O |
InChI: | InChI=1S/C11H10ClNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15) |
InChI Key: | OAIODEZFMSXHFQ-UHFFFAOYSA-N |
Boiling Point: | 448.4 °C at 760 mmHg |
Density: | 1.419 g/cm3 |
MDL: | MFCD00152035 |
LogP: | 2.75680 |
Publication Number | Title | Priority Date |
US-2013309247-A1 | Dimeric iap inhibitors | 20101213 |
US-8993523-B2 | Dimeric IAP inhibitors | 20101213 |
JP-2011190206-A | Novel indole derivatives and their pharmaceutical use | 20100315 |
TW-201127823-A | Indole based receptor CRTH2 antagonists | 20091104 |
US-2011105509-A1 | Indole based receptor crth2 antagonists | 20091104 |
Complexity: | 259 |
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: | 2 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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