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Home Carboxys 2,2-Bis(4-carboxyphenyl)hexafluoropropane

2,2-Bis(4-carboxyphenyl)hexafluoropropane

CAS No.:
1171-47-7
Catalog Number:
AG003B31
Molecular Formula:
C17H10F6O4
Molecular Weight:
392.2493
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)(T)
1 week
United States
$128
- +
25g
>98.0%(GC)(T)
1 week
United States
$330
- +
Product Description
Catalog Number:
AG003B31
Chemical Name:
2,2-Bis(4-carboxyphenyl)hexafluoropropane
CAS Number:
1171-47-7
Molecular Formula:
C17H10F6O4
Molecular Weight:
392.2493
MDL Number:
MFCD00040931
IUPAC Name:
4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid
InChI:
InChI=1S/C17H10F6O4/c18-16(19,20)15(17(21,22)23,11-5-1-9(2-6-11)13(24)25)12-7-3-10(4-8-12)14(26)27/h1-8H,(H,24,25)(H,26,27)
InChI Key:
PHQYMDAUTAXXFZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)C(=O)O
Properties
Complexity:
505  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.048g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
392.253g/mol
Monoisotopic Mass:
392.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
catena-Poly[[silver(I)-μ-4,4'-bipyridine-κ(2)N:N'] 4-[2-(4-carb-oxy-phen-yl)-1,1,1,3,3,3-hexa-fluoro-propan-2-yl]benzoate]. Acta crystallographica. Section E, Structure reports online 20120501
4,4'-(1,1,1,3,3,3-Hexafluoro-propane-2,2-diyl)dibenzoic acid. Acta crystallographica. Section E, Structure reports online 20100601
Properties