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Home Other Building Blocks [1,1'-Biphenyl]-4,4'-diol, 2,2',3,3',5,5',6,6'-octafluoro-, hydrate (1:1)

[1,1'-Biphenyl]-4,4'-diol, 2,2',3,3',5,5',6,6'-octafluoro-, hydrate (1:1)

CAS No.:
205926-99-4
Catalog Number:
AG002AEG
Molecular Formula:
C12H4F8O3
Molecular Weight:
348.1456
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Product Description
Catalog Number:
AG002AEG
Chemical Name:
[1,1'-Biphenyl]-4,4'-diol, 2,2',3,3',5,5',6,6'-octafluoro-, hydrate (1:1)
CAS Number:
205926-99-4
Molecular Formula:
C12H4F8O3
Molecular Weight:
348.1456
MDL Number:
MFCD00149466
IUPAC Name:
2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)phenol;hydrate
InChI:
InChI=1S/C12H2F8O2.H2O/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16;/h21-22H;1H2
InChI Key:
TYCYMOVGXPVZGN-UHFFFAOYSA-N
SMILES:
Fc1c(c2c(F)c(F)c(c(c2F)F)O)c(F)c(c(c1F)O)F.O
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.003g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
348.148g/mol
Monoisotopic Mass:
348.003g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties