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71274-84-5

71274-84-5 | 1,1'-Biphenyl,4-(trifluoromethoxy)-

CAS No: 71274-84-5 Catalog No: AG005JZA MDL No:

Product Description

Catalog Number:
AG005JZA
Chemical Name:
1,1'-Biphenyl,4-(trifluoromethoxy)-
CAS Number:
71274-84-5
Molecular Formula:
C13H9F3O
Molecular Weight:
238.2052
IUPAC Name:
1-phenyl-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C13H9F3O/c14-13(15,16)17-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChI Key:
BANUTYPBALYVJT-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)c1ccccc1)(F)F

Properties

Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.061g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.209g/mol
Monoisotopic Mass:
238.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  

Literature

Title Journal
An efficient organocatalytic method for constructing biaryls through aromatic C-H activation. Nature chemistry 20101201

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