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Home > Nitro Compounds > 84649-38-7
84649-38-7 | 3,6,9,12,15-Pentaoxaheptadecane, 1,17-bis(4-nitrophenoxy)-
CAS No: 84649-38-7 Catalog No: AG0050FI MDL No:
Product Description
Catalog Number:
AG0050FI
Chemical Name:
3,6,9,12,15-Pentaoxaheptadecane, 1,17-bis(4-nitrophenoxy)-
CAS Number:
84649-38-7
Molecular Formula:
C24H32N2O11
Molecular Weight:
524.5177
IUPAC Name:
1-nitro-4-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
InChI:
InChI=1S/C24H32N2O11/c27-25(28)21-1-5-23(6-2-21)36-19-17-34-15-13-32-11-9-31-10-12-33-14-16-35-18-20-37-24-7-3-22(4-8-24)26(29)30/h1-8H,9-20H2
InChI Key:
GEUVOGSCIQGBHI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.201g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
524.523g/mol
Monoisotopic Mass:
524.201g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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