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581-80-6 | 4,4'-Bis(trifluoromethyl)-1,1'-biphenyl
CAS No: 581-80-6 Catalog No: AG01EWJ6 MDL No:
Product Description
Catalog Number:
AG01EWJ6
Chemical Name:
4,4'-Bis(trifluoromethyl)-1,1'-biphenyl
CAS Number:
581-80-6
Molecular Formula:
C14H8F6
Molecular Weight:
290.2037
IUPAC Name:
1-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]benzene
InChI:
InChI=1S/C14H8F6/c15-13(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18,19)20/h1-8H
InChI Key:
ITBRQMPOQQZNFT-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)c1ccc(cc1)C(F)(F)F)(F)F
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.208g/mol
Monoisotopic Mass:
290.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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