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138794-95-3 | Ethanone, 2-bromo-1-(4'-hexyl[1,1'-biphenyl]-4-yl)-
CAS No: 138794-95-3 Catalog No: AG0019L2 MDL No:
Product Description
Catalog Number:
AG0019L2
Chemical Name:
Ethanone, 2-bromo-1-(4'-hexyl[1,1'-biphenyl]-4-yl)-
CAS Number:
138794-95-3
Molecular Formula:
C20H23BrO
Molecular Weight:
359.3000
IUPAC Name:
2-bromo-1-[4-(4-hexylphenyl)phenyl]ethanone
InChI:
InChI=1S/C20H23BrO/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20(22)15-21/h7-14H,2-6,15H2,1H3
InChI Key:
VDSLVWSHNVEIQS-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)CBr
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.307g/mol
Monoisotopic Mass:
358.093g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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