6-Chloroindole-3-acetic Acid - CAS 1912-44-3
Catalog: |
BB014797 |
Product Name: |
6-Chloroindole-3-acetic Acid |
CAS: |
1912-44-3 |
Synonyms: |
2-(6-chloro-1H-indol-3-yl)acetic acid; 2-(6-chloro-1H-indol-3-yl)acetic acid |
IUPAC Name: | 2-(6-chloro-1H-indol-3-yl)acetic acid |
Description: | 6-Chloroindole-3-acetic Acid (CAS# 1912-44-3) is a useful research chemical. |
Molecular Weight: | 209.63 |
Molecular Formula: | C10H8ClNO2 |
Canonical SMILES: | C1=CC2=C(C=C1Cl)NC=C2CC(=O)O |
InChI: | InChI=1S/C10H8ClNO2/c11-7-1-2-8-6(3-10(13)14)5-12-9(8)4-7/h1-2,4-5,12H,3H2,(H,13,14) |
InChI Key: | KKJVTNQWFSAWSK-UHFFFAOYSA-N |
Boiling Point: | 445.6 °C at 760 mmHg |
Density: | 1.483 g/cm3 |
LogP: | 2.44840 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021066573-A1 | Novel compound and use thereof in treating autoimmune diseases | 20191004 |
KR-20210040803-A | Compounds and pharmaceutical compositions for treating autoimmune diseases | 20191004 |
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 |
PMID | Publication Date | Title | Journal |
17481907 | 20070701 | Binding of ring-substituted indole-3-acetic acids to human serum albumin | Bioorganic & medicinal chemistry |
12182852 | 20020916 | Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy | Bioorganic & medicinal chemistry letters |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.0243562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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