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Home > Nitro Compounds > 85513-24-2
85513-24-2 | Benzamide, N,N'-1,4-butanediylbis[4-methyl-2-nitro-3-(phenylmethoxy)-
CAS No: 85513-24-2 Catalog No: AG004MR6 MDL No:
Product Description
Catalog Number:
AG004MR6
Chemical Name:
Benzamide, N,N'-1,4-butanediylbis[4-methyl-2-nitro-3-(phenylmethoxy)-
CAS Number:
85513-24-2
Molecular Formula:
C34H34N4O8
Molecular Weight:
626.6558
IUPAC Name:
4-methyl-N-[4-[(4-methyl-2-nitro-3-phenylmethoxybenzoyl)amino]butyl]-2-nitro-3-phenylmethoxybenzamide
InChI:
InChI=1S/C34H34N4O8/c1-23-15-17-27(29(37(41)42)31(23)45-21-25-11-5-3-6-12-25)33(39)35-19-9-10-20-36-34(40)28-18-16-24(2)32(30(28)38(43)44)46-22-26-13-7-4-8-14-26/h3-8,11-18H,9-10,19-22H2,1-2H3,(H,35,39)(H,36,40)
InChI Key:
ZICYAGCCPQROSL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1[N+](=O)[O-])OCc1ccccc1)C)NCCCCNC(=O)c1ccc(c(c1[N+](=O)[O-])OCc1ccccc1)C
Properties
Complexity:
913
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
626.238g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
626.666g/mol
Monoisotopic Mass:
626.238g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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