66898-62-2
Product Name:
Talniflumate
Formula:
C21H13F3N2O4
Synonyms:
2-[[3-(Trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic acid 1,3-dihydro-3-oxo-1-isobenzofuranyl ester
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 454 |
|---|---|
| Melting Point | 177 |
| Solubility | 5 mg/mL clear |
| LogP | 4.47 |
COMPUTED DESCRIPTORS
| Molecular Weight | 414.3 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 414.08274139 g/mol |
| Monoisotopic Mass | 414.08274139 g/mol |
| Topological Polar Surface Area | 77.5 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 644 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester is a member of benzofurans.