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890-02-8 | 2,3,4,5,6-Pentafluoro-3'-methyl-1,1'-biphenyl
CAS No: 890-02-8 Catalog No: AG01EYJ8 MDL No:
Product Description
Catalog Number:
AG01EYJ8
Chemical Name:
2,3,4,5,6-Pentafluoro-3'-methyl-1,1'-biphenyl
CAS Number:
890-02-8
Molecular Formula:
C13H7F5
Molecular Weight:
258.1867
IUPAC Name:
1,2,3,4,5-pentafluoro-6-(3-methylphenyl)benzene
InChI:
InChI=1S/C13H7F5/c1-6-3-2-4-7(5-6)8-9(14)11(16)13(18)12(17)10(8)15/h2-5H,1H3
InChI Key:
UYLHRSGGGDIPJC-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
269
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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