4-[(4-{[2-(Trifluoromethoxy)Phenyl]Amino}-2-Pyrimidinyl)Amino]Benzoic Acid
Properties
Property | Value |
---|---|
Formula | C18H13F3N4O3 |
IUPAC Name | 4-[[4-[2-(trifluoromethoxy)anilino]pyrimidin-2-yl]amino]benzoic acid |
Molecular Mass | 390.316 g·mol−1 |
Heat of Formation | -825.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.12 ± 1.08 D |
Volume | 410.47 Å 3 |
Surface Area | 374.67 Å 2 |
HOMO Energy | -9.04 ± 0.55 eV |
LUMO Energy | 1.94 ± eV |
Point Group Symmetry | C1 |
InChIKey | VKIURNGMKFWIQX-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 |