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88116-48-7

88116-48-7 | 1,3-Benzenedicarboxamide, N,N'-bis[2-(2-hydroxyethoxy)ethyl]-5-nitro-

CAS No: 88116-48-7 Catalog No: AG004FT0 MDL No:

Product Description

Catalog Number:
AG004FT0
Chemical Name:
1,3-Benzenedicarboxamide, N,N'-bis[2-(2-hydroxyethoxy)ethyl]-5-nitro-
CAS Number:
88116-48-7
Molecular Formula:
C16H23N3O8
Molecular Weight:
385.3691
IUPAC Name:
1-N,3-N-bis[2-(2-hydroxyethoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide
InChI:
InChI=1S/C16H23N3O8/c20-3-7-26-5-1-17-15(22)12-9-13(11-14(10-12)19(24)25)16(23)18-2-6-27-8-4-21/h9-11,20-21H,1-8H2,(H,17,22)(H,18,23)
InChI Key:
ODPIQCSKAKNWFI-UHFFFAOYSA-N
SMILES:
OCCOCCNC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NCCOCCO

Properties

Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.149g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
385.373g/mol
Monoisotopic Mass:
385.149g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  

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