2373-80-0 Purity
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Specification
The molecular formula of floctafenine is C20H17F3N2O4.
The molecular weight of floctafenine is 406.4 g/mol.
The IUPAC Name of floctafenine is 2,3-dihydroxypropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate.
The InChIKey of floctafenine is APQPGQGAWABJLN-UHFFFAOYSA-N.
The Canonical SMILES of floctafenine is C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F.
The CAS number of floctafenine is 23779-99-9.
Floctafenine has 3 hydrogen bond donor counts.
Floctafenine has 9 hydrogen bond acceptor counts.
The topological polar surface area of floctafenine is 91.7 Å2.
Floctafenine has 7 rotatable bond counts.