4,5-Dichloroindole-3-acetic Acid - CAS 98639-99-7
Catalog: |
BB042203 |
Product Name: |
4,5-Dichloroindole-3-acetic Acid |
CAS: |
98639-99-7 |
Synonyms: |
2-(4,5-dichloro-1H-indol-3-yl)acetic acid; 2-(4,5-dichloro-1H-indol-3-yl)acetic acid |
IUPAC Name: | 2-(4,5-dichloro-1H-indol-3-yl)acetic acid |
Description: | 4,5-Dichloroindole-3-acetic Acid (CAS# 98639-99-7 ) is a useful research chemical. |
Molecular Weight: | 244.07 |
Molecular Formula: | C10H7Cl2NO2 |
Canonical SMILES: | C1=CC(=C(C2=C1NC=C2CC(=O)O)Cl)Cl |
InChI: | InChI=1S/C10H7Cl2NO2/c11-6-1-2-7-9(10(6)12)5(4-13-7)3-8(14)15/h1-2,4,13H,3H2,(H,14,15) |
InChI Key: | JOHFBANJLDVFAY-UHFFFAOYSA-N |
LogP: | 3.10180 |
Publication Number | Title | Priority Date |
EP-0256128-A1 | Indoleacetic acid derivatives and use thereof as plant growth regulators | 19860108 |
EP-0256128-B1 | Indoleacetic acid derivatives and use thereof as plant growth regulators | 19860108 |
US-4806143-A | Indoleacetic acid derivatives and application thereof as plant growth regulators | 19860108 |
PMID | Publication Date | Title | Journal |
17481907 | 20070701 | Binding of ring-substituted indole-3-acetic acids to human serum albumin | Bioorganic & medicinal chemistry |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.9853839 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.9853839 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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