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AE-562/12222827 is available in 1840 mg

Compound details
MDL #:		MFCD01463974
Formula:		C14 H21 N O3
Weight:		251.32
Chiral info:		Not available
Name:		3,5-ditert-butyl-2-nitrophenol
SMILES:		CC(C)(C)c1cc(O)c(c(c1)C(C)(C)C)[N+](=O)[O-]
InChI^TM:		InChI=1S/C14H21NO3/c1-13(2,3)9-7-10(14(4,5)6)12(15(17)18)11(16)8-9/h7-8,16H,1-6H3
InChIKey^TM:		BXZHVNRCHYCYFC-UHFFFAOYSA-N

Chemical properties calculations
LogP:	5.73
LogS:	-5.92	H-donors: 1
tPSA:	63.37 Å²	Rotatable bonds: 3

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