Formula |
C20H13ClF3NO3 |
IUPAC Name |
(3s)-7-chloro-10-hydroxy-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2h-acridine-1,9-dione |
Molecular Mass |
407.770 g·mol−1 |
Heat of Formation |
-803.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.51 ± 1.08 D |
Volume |
419.68 Å 3 |
Surface Area |
366.0 Å 2 |
HOMO Energy |
-9.53 ± 0.55 eV |
LUMO Energy |
1.71 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AWHZKKVSUJJVNL-NSHDSACASA-N |
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Elements |
C
F
H
Cl
O
N
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