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3,3',5,5'-Tetrafluorobiphenyl-4,4'-dicarboxylic acid

Catalog Number
ACM31381916-1
CAS Number
31381-91-6
Product Name
3,3',5,5'-Tetrafluorobiphenyl-4,4'-dicarboxylic acid
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
1,1'-Biphenyl]-4,4'-dicarboxylic acid, 3,3',5,5'-tetrafluoro-
IUPAC Name
4-(4-carboxy-3,5-difluorophenyl)-2,6-difluorobenzoic acid
Molecular Weight
314.19
Molecular Formula
C14H6F4O4
InChI
InChI=1S/C14H6F4O4/c15-7-1-5(2-8(16)11(7)13(19)20)6-3-9(17)12(14(21)22)10(18)4-6/h1-4H,(H,19,20)(H,21,22)
InChI Key
ZPGFIXJMWHUTJM-UHFFFAOYSA-N
Purity
97%
Complexity
383
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
314.02022132g/mol
Formal Charge
0
Heavy Atom Count
22
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
314.02022132g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
74.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
3
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