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14743-50-1 | 1,1'-Biphenyl, 2,3,4,5,6-pentafluoro-4'-nitro-
CAS No: 14743-50-1 Catalog No: AG001EWQ MDL No:
Product Description
Catalog Number:
AG001EWQ
Chemical Name:
1,1'-Biphenyl, 2,3,4,5,6-pentafluoro-4'-nitro-
CAS Number:
14743-50-1
Molecular Formula:
C12H4F5NO2
Molecular Weight:
289.1577
IUPAC Name:
1,2,3,4,5-pentafluoro-6-(4-nitrophenyl)benzene
InChI:
InChI=1S/C12H4F5NO2/c13-8-7(9(14)11(16)12(17)10(8)15)5-1-3-6(4-2-5)18(19)20/h1-4H
InChI Key:
ZUHMIDACPPDCDE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.016g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.161g/mol
Monoisotopic Mass:
289.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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