1-[4-Bromo-2-(1H-Tetrazol-5-Yl)Phenyl]-3-[3-(Trifluoromethyl)Phenyl]Urea

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Properties Simple | Detailed

Formula C15H10BrF3N6O
IUPAC Name 1-[4-bromo-2-(2h-tetrazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
Molecular Mass 427.179 g·mol−1
Heat of Formation -309.7 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 391.05 Å 3
Surface Area 358.7 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey JXPULDIATMTIIN-UHFFFAOYSA-N
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Elements C F H O N Br