2,3,5,6-tetrafluoro-4-[(6-hydroxyhexyl)oxy]benzoic acid

2,3,5,6-tetrafluoro-4-[(6-hydroxyhexyl)oxy]benzoic acid

CAS: 1017789-70-6

Formula: C13H14F4O4

SMILES: OCCCCCCOC1=C(F)C(F)=C(C(O)=O)C(F)=C1F

IUPAC: 2,3,5,6-tetrafluoro-4-[(6-hydroxyhexyl)oxy]benzoic acid

InChI: InChI=1S/C13H14F4O4/c14-8-7(13(19)20)9(15)11(17)12(10(8)16)21-6-4-2-1-3-5-18/h18H,1-6H2,(H,19,20)

Composition: C (50.33%), H (4.55%), F (24.49%), O (20.63%)

Molar Mass: 310.245

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	310.082821583
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	XDMXXHWZNZNGEA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.65
Topological Polar Surface Area	66.76
Polarizability	24.27
Ring Count	1
Rotatable Bond Count	8

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