7-Fluoroindole-3-carboxylic Acid - CAS 858515-66-9
Catalog: |
BB037740 |
Product Name: |
7-Fluoroindole-3-carboxylic Acid |
CAS: |
858515-66-9 |
Synonyms: |
7-fluoro-1H-indole-3-carboxylic acid; 7-fluoro-1H-indole-3-carboxylic acid |
IUPAC Name: | 7-fluoro-1H-indole-3-carboxylic acid |
Description: | 7-Fluoroindole-3-carboxylic Acid (CAS# 858515-66-9 ) is a useful research chemical. |
Molecular Weight: | 179.15 |
Molecular Formula: | C9H6FNO2 |
Canonical SMILES: | C1=CC2=C(C(=C1)F)NC=C2C(=O)O |
InChI: | InChI=1S/C9H6FNO2/c10-7-3-1-2-5-6(9(12)13)4-11-8(5)7/h1-4,11H,(H,12,13) |
InChI Key: | BGNHSQYGVIUBBX-UHFFFAOYSA-N |
LogP: | 2.00520 |
Publication Number | Title | Priority Date |
WO-2020106695-A1 | Methods of treating cancer | 20181119 |
TW-202038943-A | Methods of treating cancer | 20181119 |
EP-3883605-A1 | Methods of treating cancer | 20181119 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
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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