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Home > Nitro Compounds > 156777-93-4
156777-93-4 | Ethanediamide, N1,N2-bis[2-nitro-4,5-bis(octyloxy)phenyl]-
CAS No: 156777-93-4 Catalog No: AG001OZ3 MDL No:
Product Description
Catalog Number:
AG001OZ3
Chemical Name:
Ethanediamide, N1,N2-bis[2-nitro-4,5-bis(octyloxy)phenyl]-
CAS Number:
156777-93-4
Molecular Formula:
C46H74N4O10
Molecular Weight:
843.1006
IUPAC Name:
N,N'-bis(2-nitro-4,5-dioctoxyphenyl)oxamide
InChI:
InChI=1S/C46H74N4O10/c1-5-9-13-17-21-25-29-57-41-33-37(39(49(53)54)35-43(41)59-31-27-23-19-15-11-7-3)47-45(51)46(52)48-38-34-42(58-30-26-22-18-14-10-6-2)44(36-40(38)50(55)56)60-32-28-24-20-16-12-8-4/h33-36H,5-32H2,1-4H3,(H,47,51)(H,48,52)
InChI Key:
XWVPFPJSELXRJB-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cc(NC(=O)C(=O)Nc2cc(OCCCCCCCC)c(cc2[N+](=O)[O-])OCCCCCCCC)c(cc1OCCCCCCCC)[N+](=O)[O-]
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
842.54g/mol
Formal Charge:
0
Heavy Atom Count:
60
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
843.116g/mol
Monoisotopic Mass:
842.54g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
187A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.7
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