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550366-98-8 | 1-(2',3',4',5',6'-Pentafluoro[1,1'-biphenyl]-4-yl) ethanone
CAS No: 550366-98-8 Catalog No: AG01EWFL MDL No:
Product Description
Catalog Number:
AG01EWFL
Chemical Name:
1-(2',3',4',5',6'-Pentafluoro[1,1'-biphenyl]-4-yl) ethanone
CAS Number:
550366-98-8
Molecular Formula:
C14H7F5O
Molecular Weight:
286.1968
IUPAC Name:
1-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]ethanone
InChI:
InChI=1S/C14H7F5O/c1-6(20)7-2-4-8(5-3-7)9-10(15)12(17)14(19)13(18)11(9)16/h2-5H,1H3
InChI Key:
VBJVBRZQEPOJTR-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.042g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.201g/mol
Monoisotopic Mass:
286.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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