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149451-95-6 | 1,1'-Biphenyl, 4-bromo-4'-butyl-3-fluoro-
CAS No: 149451-95-6 Catalog No: AG001LP9 MDL No:
Product Description
Catalog Number:
AG001LP9
Chemical Name:
1,1'-Biphenyl, 4-bromo-4'-butyl-3-fluoro-
CAS Number:
149451-95-6
Molecular Formula:
C16H16BrF
Molecular Weight:
307.2006
IUPAC Name:
1-bromo-4-(4-butylphenyl)-2-fluorobenzene
InChI:
InChI=1S/C16H16BrF/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(17)16(18)11-14/h5-11H,2-4H2,1H3
InChI Key:
RWZZCVUQOFIUKG-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)c1ccc(c(c1)F)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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