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845526-26-3 | 1,1'-Biphenyl, 4-[(6-bromohexyl)oxy]-4'-fluoro-
CAS No: 845526-26-3 Catalog No: AG004VH1 MDL No:
Product Description
Catalog Number:
AG004VH1
Chemical Name:
1,1'-Biphenyl, 4-[(6-bromohexyl)oxy]-4'-fluoro-
CAS Number:
845526-26-3
Molecular Formula:
C18H20BrFO
Molecular Weight:
351.2532
IUPAC Name:
1-(6-bromohexoxy)-4-(4-fluorophenyl)benzene
InChI:
InChI=1S/C18H20BrFO/c19-13-3-1-2-4-14-21-18-11-7-16(8-12-18)15-5-9-17(20)10-6-15/h5-12H,1-4,13-14H2
InChI Key:
WNGGPQFYXMPRNR-UHFFFAOYSA-N
SMILES:
BrCCCCCCOc1ccc(cc1)c1ccc(cc1)F
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.259g/mol
Monoisotopic Mass:
350.068g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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