N-(4-Chloro-2-Fluorophenyl)-6,7-Dimethoxy-4-Quinazolinamine

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Properties Simple | Detailed

Formula C16H13ClFN3O2
IUPAC Name n-(4-chloro-2-fluoro-phenyl)-6,7-dimethoxy-quinazolin-4-amine
Molecular Mass 333.745 g·mol−1
Heat of Formation -178.4 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 358.19 Å 3
Surface Area 328.57 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • (4-chloro-2-fluoro-phenyl)-(6,7-dimethoxyquinazolin-4-yl)amine
  • anilinoquinazoline deriv. 4
  • hsci1_000042
  • n-(4-chloro-2-fluoro-phenyl)-6,7-dimethoxy-quinazolin-4-amine
  • n-(4-chloro-2-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
InChIKey YHUIUSRCUKUUQA-UHFFFAOYSA-N
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Elements C F H Cl O N