4-Fluoroindole-2-carboxylic Acid - CAS 399-68-8
Catalog: |
BB024226 |
Product Name: |
4-Fluoroindole-2-carboxylic Acid |
CAS: |
399-68-8 |
Synonyms: |
4-fluoro-1H-indole-2-carboxylic acid; 4-fluoro-1H-indole-2-carboxylic acid |
IUPAC Name: | 4-fluoro-1H-indole-2-carboxylic acid |
Description: | 4-Fluoroindole-2-carboxylic Acid (CAS# 399-68-8) is a useful research chemical. |
Molecular Weight: | 179.15 |
Molecular Formula: | C9H6FNO2 |
Canonical SMILES: | C1=CC2=C(C=C(N2)C(=O)O)C(=C1)F |
InChI: | InChI=1S/C9H6FNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13) |
InChI Key: | KBWWCYDFHITBFO-UHFFFAOYSA-N |
Boiling Point: | 422.2 °C at 760 mmHg |
Density: | 1.51 g/cm3 |
MDL: | MFCD02664471 |
LogP: | 2.00520 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021062316-A1 | Azaindole carboxamide compounds for the treatment of mycobacterial infections | 20190926 |
US-2019292150-A1 | Ido-tdo dual inhibitor and related methods of use | 20180323 |
CN-105601555-B | A method of preparing nitroindole derivative | 20160314 |
EP-2948454-B1 | Triazine compounds and a process for preparation thereof | 20130124 |
AU-2013311235-A1 | Indole carboxamide derivatives and uses thereof | 20120907 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.03825660 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.03825660 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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