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14621-04-6 | 1,1'-Biphenyl, 2,3,4,5,6-pentafluoro-4'-methyl-
CAS No: 14621-04-6 Catalog No: AG001DSI MDL No:
Product Description
Catalog Number:
AG001DSI
Chemical Name:
1,1'-Biphenyl, 2,3,4,5,6-pentafluoro-4'-methyl-
CAS Number:
14621-04-6
Molecular Formula:
C13H7F5
Molecular Weight:
258.1867
IUPAC Name:
1,2,3,4,5-pentafluoro-6-(4-methylphenyl)benzene
InChI:
InChI=1S/C13H7F5/c1-6-2-4-7(5-3-6)8-9(14)11(16)13(18)12(17)10(8)15/h2-5H,1H3
InChI Key:
PWMDTYMKSMKJRY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.191g/mol
Monoisotopic Mass:
258.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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