ChemicalBook CAS DataBase List 1971007-91-6

1971007-91-6

Chemical Properties

Boiling point	600.9±50.0 °C(Predicted)
density	1.17±0.1 g/cm3(Predicted)
solubility	DMF: 15 mg/mL; DMF:PBS (pH 7.2)(1:3): 0.25 mg/mL; DMSO: 2 mg/mL; Ethanol: 2 mg/mL; Methanol: 1 mg/ml
form	A crystalline solid
pka	13.16±0.46(Predicted)
InChI	InChI=1S/C23H25FN2O3/c1-23(2,3)20(22(28)29-4)25-21(27)18-14-26(19-8-6-5-7-17(18)19)13-15-9-11-16(24)12-10-15/h5-12,14,20H,13H2,1-4H3,(H,25,27)/t20-/m1/s1
InChIKey	RVAWIZIGOSKPBP-HXUWFJFHSA-N
SMILES	C(OC)(=O)[C@H](C(C)(C)C)NC(C1C2=C(N(CC3=CC=C(F)C=C3)C=1)C=CC=C2)=O

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