6-Fluoroquinoline-3-carboxylic acid - CAS 116293-90-4
Catalog: |
BB003735 |
Product Name: |
6-Fluoroquinoline-3-carboxylic acid |
CAS: |
116293-90-4 |
Synonyms: |
3-Quinolinecarboxylic acid, 6-fluoro-; 6-Fluoro-3-quinolinecarboxylic acid |
IUPAC Name: | 6-fluoroquinoline-3-carboxylic acid |
Molecular Weight: | 191.16 |
Molecular Formula: | C10H6FNO2 |
Canonical SMILES: | C1=CC2=NC=C(C=C2C=C1F)C(=O)O |
InChI: | InChI=1S/C10H6FNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5H,(H,13,14) |
InChI Key: | WZTBLZIAYMSIOJ-UHFFFAOYSA-N |
Boiling Point: | 352.1±27.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.431±0.06 g/cm3 |
Appearance: | Dark Grey Powder |
Storage: | Store at RT |
LogP: | 2.07210 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017335674-A1 | P2X3 and/or P2X2/3 compounds and methods | 20160930 |
CA-3037748-A1 | P2x3 and/or p2x2/3 compounds and methods | 20160930 |
EP-3528813-A1 | P2x3 and/or p2x2/3 compounds and methods | 20160930 |
KR-20190053963-A | P2X3 and / or P2X2 / 3 compounds and methods | 20160930 |
TW-201827432-A | P2Xî,µ and/or P2Xî,´/î,µ compounds and methods | 20160930 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.03825660 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.03825660 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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