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156881-08-2 | Benzene, 1,1',1''-[[(6-bromohexyl)thio]methylidyne]tris-
CAS No: 156881-08-2 Catalog No: AG001P1Y MDL No:
Product Description
Catalog Number:
AG001P1Y
Chemical Name:
Benzene, 1,1',1''-[[(6-bromohexyl)thio]methylidyne]tris-
CAS Number:
156881-08-2
Molecular Formula:
C25H27BrS
Molecular Weight:
439.4509
IUPAC Name:
[6-bromohexylsulfanyl(diphenyl)methyl]benzene
InChI:
InChI=1S/C25H27BrS/c26-20-12-1-2-13-21-27-25(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,1-2,12-13,20-21H2
InChI Key:
GNMPPPGKPWLKDV-UHFFFAOYSA-N
SMILES:
BrCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.102g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.455g/mol
Monoisotopic Mass:
438.102g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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