6-fluoroindole-3-acetic acid - CAS 443-75-4
Catalog: |
BB025580 |
Product Name: |
6-fluoroindole-3-acetic acid |
CAS: |
443-75-4 |
Synonyms: |
2-(6-fluoro-1H-indol-3-yl)acetic acid; 2-(6-fluoro-1H-indol-3-yl)acetic acid |
IUPAC Name: | 2-(6-fluoro-1H-indol-3-yl)acetic acid |
Description: | 6-fluoroindole-3-acetic acid (CAS# 443-75-4) is a halogenated indole 3-acetic acid derivative that contains a bulky electron withdrawing fluorine making it more favorable for inhibitory activity related to cancer therapy. |
Molecular Weight: | 193.17 |
Molecular Formula: | C10H8FNO2 |
Canonical SMILES: | C1=CC2=C(C=C1F)NC=C2CC(=O)O |
InChI: | InChI=1S/C10H8FNO2/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: | OOEZASHYQRURRT-UHFFFAOYSA-N |
Boiling Point: | 154.5 °C at 760 mmHg |
Melting Point: | 159-163 °C |
Purity: | 95 % |
Density: | 1.186 g/cm3 |
Appearance: | Off-white to light brown crystalline powder |
MDL: | MFCD1074503 |
LogP: | 1.93410 |
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 |
CN-113292557-A | Pyridopyrimidinone mesoion derivative containing indole unit and preparation method and application thereof | 20210531 |
WO-2021000935-A1 | Hpk1 inhibitors and uses thereof | 20190704 |
EP-3634406-A2 | 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof | 20170512 |
US-2020165230-A1 | 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof | 20170512 |
WO-2018209267-A2 | 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof | 20170512 |
PMID | Publication Date | Title | Journal |
17481907 | 20070701 | Binding of ring-substituted indole-3-acetic acids to human serum albumin | Bioorganic & medicinal chemistry |
15501568 | 20041101 | Absorption and fluorescence spectra of ring-substituted indole-3-acetic acids | Biophysical 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: | 193.05390666 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.05390666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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