4-Hydroxy-7-trifluoromethyl-3-quinolinecarboxylic acid - CAS 574-92-5
Catalog: |
BB029720 |
Product Name: |
4-Hydroxy-7-trifluoromethyl-3-quinolinecarboxylic acid |
CAS: |
574-92-5 |
Synonyms: |
4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid |
IUPAC Name: | 4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid |
Description: | 4-Hydroxy-7-trifluoromethyl-3-quinolinecarboxylic acid (CAS# 574-92-5) is a useful research chemical. |
Molecular Weight: | 257.17 |
Molecular Formula: | C11H6F3NO3 |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)NC=C(C2=O)C(=O)O |
InChI: | InChI=1S/C11H6F3NO3/c12-11(13,14)5-1-2-6-8(3-5)15-4-7(9(6)16)10(17)18/h1-4H,(H,15,16)(H,17,18) |
InChI Key: | BIRIVPOTERXIOW-UHFFFAOYSA-N |
Boiling Point: | 354.7 °C at 760 mmHg |
Density: | 1.55 g/cm3 |
Appearance: | Off-white powder |
MDL: | MFCD00006771 |
LogP: | 2.65740 |
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 |
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PMID | Publication Date | Title | Journal |
17064064 | 20061102 | Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2 | Journal of medicinal chemistry |
Complexity: | 416 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.02997754 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.02997754 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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