Floctafenic Acid Methyl Ester - CAS 23779-98-8
Catalog: |
BB065326 |
Product Name: |
Floctafenic Acid Methyl Ester |
CAS: |
23779-98-8 |
Synonyms: |
methyl 2-{[8-(trifluoromethyl)quinolin-4-yl]amino}benzoate; methyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate; Methyl 2-[[8-(trifluoromethyl)-4-quinolinyl]amino]benzoate; methyl 2-{[8-(trifluoromethyl)-4-quinolinyl]amino}benzoate |
IUPAC Name: | methyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate |
Molecular Weight: | 346.3 |
Molecular Formula: | C18H13F3N2O2 |
Canonical SMILES: | COC(=O)C1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F |
InChI: | InChI=1S/C18H13F3N2O2/c1-25-17(24)12-5-2-3-8-14(12)23-15-9-10-22-16-11(15)6-4-7-13(16)18(19,20)21/h2-10H,1H3,(H,22,23) |
InChI Key: | NBCYWASVDNEYMJ-UHFFFAOYSA-N |
Solubility: | THF, Methanol |
Appearance: | Off White Solid |
Complexity: | 472 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 346.09291215 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 346.09291215 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 51.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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