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114414-21-0 | Benzene, 1,2-dibromo-4,5-bis[(dodecylthio)methyl]-
CAS No: 114414-21-0 Catalog No: AG000B9Q MDL No:
Product Description
Catalog Number:
AG000B9Q
Chemical Name:
Benzene, 1,2-dibromo-4,5-bis[(dodecylthio)methyl]-
CAS Number:
114414-21-0
Molecular Formula:
C32H56Br2S2
Molecular Weight:
664.7250
IUPAC Name:
1,2-dibromo-4,5-bis(dodecylsulfanylmethyl)benzene
InChI:
InChI=1S/C32H56Br2S2/c1-3-5-7-9-11-13-15-17-19-21-23-35-27-29-25-31(33)32(34)26-30(29)28-36-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24,27-28H2,1-2H3
InChI Key:
FJZOOOWSMFFRBS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSCc1cc(Br)c(cc1CSCCCCCCCCCCCC)Br
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
664.217g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
664.728g/mol
Monoisotopic Mass:
662.219g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.4
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