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Home > Fluorides > 1017789-70-6
1017789-70-6 | Benzoic acid, 2,3,5,6-tetrafluoro-4-[(6-hydroxyhexyl)oxy]-
CAS No: 1017789-70-6 Catalog No: AG0005JU MDL No:
Product Description
Catalog Number:
AG0005JU
Chemical Name:
Benzoic acid, 2,3,5,6-tetrafluoro-4-[(6-hydroxyhexyl)oxy]-
CAS Number:
1017789-70-6
Molecular Formula:
C13H14F4O4
Molecular Weight:
310.2415
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
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
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