4-({4-[(2-Chlorophenyl)Amino]-5-Fluoro-2-Pyrimidinyl}Amino)Benzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C17H12ClFN4O2 |
| IUPAC Name | 4-[[4-(2-chloroanilino)-5-fluoro-pyrimidin-2-yl]amino]benzoic acid |
| Molecular Mass | 358.754 g·mol−1 |
| Heat of Formation | -197.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.86 ± 1.08 D |
| Volume | 384.06 Å 3 |
| Surface Area | 350.75 Å 2 |
| HOMO Energy | -9.02 ± 0.55 eV |
| LUMO Energy | 1.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BLFRZPJRKJLHGU-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H Cl O N |