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Home > Fluorides > 1017789-71-7
1017789-71-7 | Benzoic acid, 2,3,5,6-tetrafluoro-4-[(8-hydroxyoctyl)oxy]-
CAS No: 1017789-71-7 Catalog No: AG0005JT MDL No:
Product Description
Catalog Number:
AG0005JT
Chemical Name:
Benzoic acid, 2,3,5,6-tetrafluoro-4-[(8-hydroxyoctyl)oxy]-
CAS Number:
1017789-71-7
Molecular Formula:
C15H18F4O4
Molecular Weight:
338.2946
IUPAC Name:
2,3,5,6-tetrafluoro-4-(8-hydroxyoctoxy)benzoic acid
InChI:
InChI=1S/C15H18F4O4/c16-10-9(15(21)22)11(17)13(19)14(12(10)18)23-8-6-4-2-1-3-5-7-20/h20H,1-8H2,(H,21,22)
InChI Key:
MBDCJZBGJBUULB-UHFFFAOYSA-N
SMILES:
OCCCCCCCCOc1c(F)c(F)c(c(c1F)F)C(=O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.114g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.299g/mol
Monoisotopic Mass:
338.114g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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