6-Fluoroindole-3-carboxylic Acid - CAS 23077-44-3
Catalog: |
BB017913 |
Product Name: |
6-Fluoroindole-3-carboxylic Acid |
CAS: |
23077-44-3 |
Synonyms: |
6-fluoro-1H-indole-3-carboxylic acid; 6-fluoro-1H-indole-3-carboxylic acid |
IUPAC Name: | 6-fluoro-1H-indole-3-carboxylic acid |
Description: | 6-Fluoroindole-3-carboxylic Acid (CAS# 23077-44-3) is a useful research chemical. |
Molecular Weight: | 179.15 |
Molecular Formula: | C9H6FNO2 |
Canonical SMILES: | C1=CC2=C(C=C1F)NC=C2C(=O)O |
InChI: | InChI=1S/C9H6FNO2/c10-5-1-2-6-7(9(12)13)4-11-8(6)3-5/h1-4,11H,(H,12,13) |
InChI Key: | ITDFSNLFIZWJDB-UHFFFAOYSA-N |
Boiling Point: | 422.2 ℃ at 760 mmHg |
Density: | 1.51 g/cm3 |
MDL: | MFCD06203359 |
LogP: | 2.00520 |
Publication Number | Title | Priority Date |
WO-2021000935-A1 | Hpk1 inhibitors and uses thereof | 20190704 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
US-10981917-B2 | Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same | 20170207 |
WO-2018009539-A1 | Inhibitors of hexokinase and methods of use thereof | 20160705 |
EP-3455223-A1 | Compounds to promote normal processing of app | 20160512 |
PMID | Publication Date | Title | Journal |
22590437 | 20120501 | 6-Fluoro-1H-indole-3-carb-oxy-lic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0382566 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0382566 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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