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Home > Nitro Compounds > 827340-48-7
827340-48-7 | 1,1'-Biphenyl, 4,4'-bis[(hexadecyloxy)methyl]-3,3'-dinitro-
CAS No: 827340-48-7 Catalog No: AG004UV2 MDL No:
Product Description
Catalog Number:
AG004UV2
Chemical Name:
1,1'-Biphenyl, 4,4'-bis[(hexadecyloxy)methyl]-3,3'-dinitro-
CAS Number:
827340-48-7
Molecular Formula:
C46H76N2O6
Molecular Weight:
753.1054
IUPAC Name:
1-(hexadecoxymethyl)-4-[4-(hexadecoxymethyl)-3-nitrophenyl]-2-nitrobenzene
InChI:
InChI=1S/C46H76N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-53-39-43-33-31-41(37-45(43)47(49)50)42-32-34-44(46(38-42)48(51)52)40-54-36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34,37-38H,3-30,35-36,39-40H2,1-2H3
InChI Key:
XRWQDCAHAZMIHE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCc1ccc(cc1[N+](=O)[O-])c1ccc(c(c1)[N+](=O)[O-])COCCCCCCCCCCCCCCCC
Properties
Complexity:
808
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
752.57g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
753.122g/mol
Monoisotopic Mass:
752.57g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18
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