3-Fluorothiophene-2-carboxylic Acid - CAS 32431-84-8
Catalog: |
BB021288 |
Product Name: |
3-Fluorothiophene-2-carboxylic Acid |
CAS: |
32431-84-8 |
Synonyms: |
3-fluoro-2-thiophenecarboxylic acid; 3-fluorothiophene-2-carboxylic acid |
IUPAC Name: | 3-fluorothiophene-2-carboxylic acid |
Description: | 3-Fluorothiophene-2-carboxylic Acid (CAS# 32431-84-8) is a useful research chemical. |
Molecular Weight: | 146.14 |
Molecular Formula: | C5H3FO2S |
Canonical SMILES: | C1=CSC(=C1F)C(=O)O |
InChI: | InChI=1S/C5H3FO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8) |
InChI Key: | WPHRBUAOSDHRDS-UHFFFAOYSA-N |
Boiling Point: | 263.8 °C at 760 mmHg |
Density: | 1.527 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03426911 |
LogP: | 1.58540 |
GHS Hazard Statement: | H302 (33.33%): 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-2021002473-A1 | Nrf2-activating compound | 20190703 |
WO-2020102096-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181113 |
TW-202031647-A | Compounds and compositions for treating conditions associated with nlrp activity | 20181113 |
CN-113166065-A | Compounds and compositions for treating conditions associated with NLRP activity | 20181113 |
EP-3880660-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181113 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.98377867 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.98377867 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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