Home Fluorides 1017789-70-6
1017789-70-6,MFCD09991743
Catalog No.:AA0005H2
1017789-70-6 | 2,3,5,6-Tetrafluoro-4-(6-hydroxyhexyloxy)benzoic acid
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250mg
97%
1 week  
$300.00   $210.00
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1g
97%
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$667.00   $467.00
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Technical Information
Catalog Number:
AA0005H2
Chemical Name:
2,3,5,6-Tetrafluoro-4-(6-hydroxyhexyloxy)benzoic acid
CAS Number:
1017789-70-6
Molecular Formula:
C13H14F4O4
Molecular Weight:
310.2415
MDL Number:
MFCD09991743
IUPAC Name:
2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)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)
InChI Key:
XDMXXHWZNZNGEA-UHFFFAOYSA-N
SMILES:
OCCCCCCOc1c(F)c(F)c(c(c1F)F)C(=O)O
Properties
Computed Properties
 
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.083g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
310.245g/mol
Monoisotopic Mass:
310.083g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
1017789-70-6 
2,3,5,6-TETRAFLUORO-4-(6-HYDROXYHEXYLOXY)BENZOIC ACID 
AJ-69510 
AK-43130 
2,3,5,6-Tetrafluoro-4-(6-hydroxy-hexyloxy)-benzoic acid 
Benzoic acid, 2,3,5,6-tetrafluoro-4-[(6-hydroxyhexyl)oxy]- 
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE 
2,3,5,6-Tetrafluoro-4-((6-hydroxyhexyl)oxy)benzoic acid 
2,3,5,6-Tetrafluoro-4-[(6-hydroxyhexyl)oxy]benzoic acid 
DTXSID40650740 
ACT05164 
MFCD09991743 
ZINC16698344 
AKOS022178973 
AS06655 
Literature
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