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Home > Fluorides > 134151-61-4
134151-61-4 | 4,4'-((1,2,3,3,4,4-hexafluorocyclobutane-1,2-diyl) bis(oxy))dibenzoic acid
CAS No: 134151-61-4 Catalog No: AG01F2AC MDL No:
Product Description
Catalog Number:
AG01F2AC
Chemical Name:
4,4'-((1,2,3,3,4,4-hexafluorocyclobutane-1,2-diyl) bis(oxy))dibenzoic acid
CAS Number:
134151-61-4
Molecular Formula:
C18H10F6O6
Molecular Weight:
436.2588
IUPAC Name:
4-[2-(4-carboxyphenoxy)-1,2,3,3,4,4-hexafluorocyclobutyl]oxybenzoic acid
InChI:
InChI=1S/C18H10F6O6/c19-15(20)16(21,22)18(24,30-12-7-3-10(4-8-12)14(27)28)17(15,23)29-11-5-1-9(2-6-11)13(25)26/h1-8H,(H,25,26)(H,27,28)
InChI Key:
AUTFDDDGQZIXCF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OC1(F)C(F)(F)C(C1(F)Oc1ccc(cc1)C(=O)O)(F)F
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.038g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.262g/mol
Monoisotopic Mass:
436.038g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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