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163129-11-1 | 1,1'-Biphenyl, 4-bromo-3-fluoro-4'-pentyl-
CAS No: 163129-11-1 Catalog No: AG001TSW MDL No:
Product Description
Catalog Number:
AG001TSW
Chemical Name:
1,1'-Biphenyl, 4-bromo-3-fluoro-4'-pentyl-
CAS Number:
163129-11-1
Molecular Formula:
C17H18BrF
Molecular Weight:
321.2272
IUPAC Name:
1-bromo-2-fluoro-4-(4-pentylphenyl)benzene
InChI:
InChI=1S/C17H18BrF/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(18)17(19)12-15/h6-12H,2-5H2,1H3
InChI Key:
RGYAEPDUJOIYDX-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)c1ccc(c(c1)F)Br
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.233g/mol
Monoisotopic Mass:
320.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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