IUPAC Name: | N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine |
Description: | 4-[(3-Chloro-4-fluorophenyl)amino]-7-fluoro-6-nitroquinazoline (CAS# 162012-67-1) is an intermediate in the synthesis of Afatinib (A355300), an aminocrotonylamino-substituted quinazoline derivative used for treating cancer and diseases of the respiratory tract, lungs, gastrointestinal tract, bile duct, and gallbladder. |
Molecular Weight: | 336.68 |
Molecular Formula: | C14H7ClF2N4O2 |
Canonical SMILES: | C1=CC(=C(C=C1NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])F)Cl)F |
InChI: | InChI=1S/C14H7ClF2N4O2/c15-9-3-7(1-2-10(9)16)20-14-8-4-13(21(22)23)11(17)5-12(8)18-6-19-14/h1-6H,(H,18,19,20) |
InChI Key: | CJOJDNRJDBWZKM-UHFFFAOYSA-N |
Boiling Point: | 488.589 °C at 760 mmHg |
Flash Point: | 249.29°C |
Density: | 1.617 g/cm3 |
MDL: | MFCD09998825 |
LogP: | 4.80940 |
Refractive Index: | 1.707 |
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