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Home > Nitro Compounds > 85513-25-3
85513-25-3 | Benzamide, N,N'-1,6-hexanediylbis[4-methyl-2-nitro-3-(phenylmethoxy)-
CAS No: 85513-25-3 Catalog No: AG004JIS MDL No:
Product Description
Catalog Number:
AG004JIS
Chemical Name:
Benzamide, N,N'-1,6-hexanediylbis[4-methyl-2-nitro-3-(phenylmethoxy)-
CAS Number:
85513-25-3
Molecular Formula:
C36H38N4O8
Molecular Weight:
654.7089
IUPAC Name:
4-methyl-N-[6-[(4-methyl-2-nitro-3-phenylmethoxybenzoyl)amino]hexyl]-2-nitro-3-phenylmethoxybenzamide
InChI:
InChI=1S/C36H38N4O8/c1-25-17-19-29(31(39(43)44)33(25)47-23-27-13-7-5-8-14-27)35(41)37-21-11-3-4-12-22-38-36(42)30-20-18-26(2)34(32(30)40(45)46)48-24-28-15-9-6-10-16-28/h5-10,13-20H,3-4,11-12,21-24H2,1-2H3,(H,37,41)(H,38,42)
InChI Key:
ODGDYGTURHBNSV-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1[N+](=O)[O-])OCc1ccccc1)C)NCCCCCCNC(=O)c1ccc(c(c1[N+](=O)[O-])OCc1ccccc1)C
Properties
Complexity:
942
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
654.269g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
654.72g/mol
Monoisotopic Mass:
654.269g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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