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Home > Nitro Compounds > 85513-26-4
85513-26-4 | Benzamide, N,N'-1,8-octanediylbis[4-methyl-2-nitro-3-(phenylmethoxy)-
CAS No: 85513-26-4 Catalog No: AG004JBS MDL No:
Product Description
Catalog Number:
AG004JBS
Chemical Name:
Benzamide, N,N'-1,8-octanediylbis[4-methyl-2-nitro-3-(phenylmethoxy)-
CAS Number:
85513-26-4
Molecular Formula:
C38H42N4O8
Molecular Weight:
682.7621
IUPAC Name:
4-methyl-N-[8-[(4-methyl-2-nitro-3-phenylmethoxybenzoyl)amino]octyl]-2-nitro-3-phenylmethoxybenzamide
InChI:
InChI=1S/C38H42N4O8/c1-27-19-21-31(33(41(45)46)35(27)49-25-29-15-9-7-10-16-29)37(43)39-23-13-5-3-4-6-14-24-40-38(44)32-22-20-28(2)36(34(32)42(47)48)50-26-30-17-11-8-12-18-30/h7-12,15-22H,3-6,13-14,23-26H2,1-2H3,(H,39,43)(H,40,44)
InChI Key:
PIRRNBLBMNFGIO-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1[N+](=O)[O-])OCc1ccccc1)C)NCCCCCCCCNC(=O)c1ccc(c(c1[N+](=O)[O-])OCc1ccccc1)C
Properties
Complexity:
972
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
682.3g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
682.774g/mol
Monoisotopic Mass:
682.3g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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