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Home > Fluorides > 154343-99-4
154343-99-4 | 2',3',4',5',6'-Pentafluoro[1,1'-biphenyl]-3-carbonitrile
CAS No: 154343-99-4 Catalog No: AG01F7K5 MDL No:
Product Description
Catalog Number:
AG01F7K5
Chemical Name:
2',3',4',5',6'-Pentafluoro[1,1'-biphenyl]-3-carbonitrile
CAS Number:
154343-99-4
Molecular Formula:
C13H4F5N
Molecular Weight:
269.1696
IUPAC Name:
3-(2,3,4,5,6-pentafluorophenyl)benzonitrile
InChI:
InChI=1S/C13H4F5N/c14-9-8(7-3-1-2-6(4-7)5-19)10(15)12(17)13(18)11(9)16/h1-4H
InChI Key:
LNRRVSLKXQGFSP-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.026g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.174g/mol
Monoisotopic Mass:
269.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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