3-Chloro-4-(2-Hydroxy-4-Propylphenoxy)Benzonitrile

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Properties Simple | Detailed

Formula C16H14ClNO2
IUPAC Name 3-chloro-4-(2-hydroxy-4-propyl-phenoxy)benzonitrile
Molecular Mass 287.741 g·mol−1
Heat of Formation -111.9 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 337.79 Å 3
Surface Area 311.22 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
InChIKey KUCPXASBGVCWFQ-UHFFFAOYSA-N
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Elements H C N O Cl