4-[(4-{[2-(Trifluoromethyl)Phenyl]Amino}-2-Pyrimidinyl)Amino]Benzoic Acid
Properties
Property | Value |
---|---|
Formula | C18H13F3N4O2 |
IUPAC Name | 4-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzoic acid |
Molecular Mass | 374.317 g·mol−1 |
Heat of Formation | -655.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.11 ± 1.08 D |
Volume | 399.09 Å 3 |
Surface Area | 360.37 Å 2 |
HOMO Energy | -9.04 ± 0.55 eV |
LUMO Energy | 1.96 ± eV |
Point Group Symmetry | C1 |
InChIKey | QFNWNXOHCUAEBM-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C F O N |