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Home > Nitro Compounds > 848354-42-7
848354-42-7 | Benzene, 1,4-bis(dodecyloxy)-2,5-bis[2-(4-nitrophenyl)ethenyl]-
CAS No: 848354-42-7 Catalog No: AG004N4B MDL No:
Product Description
Catalog Number:
AG004N4B
Chemical Name:
Benzene, 1,4-bis(dodecyloxy)-2,5-bis[2-(4-nitrophenyl)ethenyl]-
CAS Number:
848354-42-7
Molecular Formula:
C46H64N2O6
Molecular Weight:
741.0102
IUPAC Name:
1,4-didodecoxy-2,5-bis[2-(4-nitrophenyl)ethenyl]benzene
InChI:
InChI=1S/C46H64N2O6/c1-3-5-7-9-11-13-15-17-19-21-35-53-45-37-42(30-24-40-27-33-44(34-28-40)48(51)52)46(54-36-22-20-18-16-14-12-10-8-6-4-2)38-41(45)29-23-39-25-31-43(32-26-39)47(49)50/h23-34,37-38H,3-22,35-36H2,1-2H3
InChI Key:
QUVWJDRKVNZIMA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cc(C=Cc2ccc(cc2)[N+](=O)[O-])c(cc1C=Cc1ccc(cc1)[N+](=O)[O-])OCCCCCCCCCCCC
Properties
Complexity:
928
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
740.476g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
741.026g/mol
Monoisotopic Mass:
740.476g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
17.2
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