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116831-34-6 | 1,1'-Biphenyl, 4-bromo-4'-butyl-2-fluoro-
CAS No: 116831-34-6 Catalog No: AG000DAD MDL No:
Product Description
Catalog Number:
AG000DAD
Chemical Name:
1,1'-Biphenyl, 4-bromo-4'-butyl-2-fluoro-
CAS Number:
116831-34-6
Molecular Formula:
C16H16BrF
Molecular Weight:
307.2006
IUPAC Name:
4-bromo-1-(4-butylphenyl)-2-fluorobenzene
InChI:
InChI=1S/C16H16BrF/c1-2-3-4-12-5-7-13(8-6-12)15-10-9-14(17)11-16(15)18/h5-11H,2-4H2,1H3
InChI Key:
LDQABRHKJNCPFO-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)c1ccc(cc1F)Br
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.206g/mol
Monoisotopic Mass:
306.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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