7-Fluoro-1H-indole-2-carboxylic acid - CAS 399-67-7
Catalog: |
BB024225 |
Product Name: |
7-Fluoro-1H-indole-2-carboxylic acid |
CAS: |
399-67-7 |
Synonyms: |
7-fluoro-1H-indole-2-carboxylic acid; 7-fluoro-1H-indole-2-carboxylic acid |
IUPAC Name: | 7-fluoro-1H-indole-2-carboxylic acid |
Description: | 7-Fluoro-1H-indole-2-carboxylic acid (CAS# 399-67-7) is a useful research chemical. |
Molecular Weight: | 179.15 |
Molecular Formula: | C9H6FNO2 |
Canonical SMILES: | C1=CC2=C(C(=C1)F)NC(=C2)C(=O)O |
InChI: | InChI=1S/C9H6FNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11H,(H,12,13) |
InChI Key: | SCWBSQNVKBIKRY-UHFFFAOYSA-N |
Boiling Point: | 422.162 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.51 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02664429 |
LogP: | 2.00520 |
Publication Number | Title | Priority Date |
WO-2021143762-A1 | Novel compounds as inhibitors of pcsk9 | 20200117 |
TW-202106686-A | Novel indolizine-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
US-2019292150-A1 | Ido-tdo dual inhibitor and related methods of use | 20180323 |
WO-2019180686-A1 | Ido-tdo dual inhibitor and related methods of use | 20180323 |
AU-2016358242-A1 | N-substituted indole derivatives as PGE2 receptor modulators | 20151120 |
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: | 2.4 |
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