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Home > Nitro Compounds > 88548-59-8
88548-59-8 | 1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-[(2-nitrophenyl)methyl]-
CAS No: 88548-59-8 Catalog No: AG004FQA MDL No:
Product Description
Catalog Number:
AG004FQA
Chemical Name:
1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-[(2-nitrophenyl)methyl]-
CAS Number:
88548-59-8
Molecular Formula:
C17H26N2O6
Molecular Weight:
354.3981
IUPAC Name:
13-[(2-nitrophenyl)methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
InChI:
InChI=1S/C17H26N2O6/c20-19(21)17-4-2-1-3-16(17)15-18-5-7-22-9-11-24-13-14-25-12-10-23-8-6-18/h1-4H,5-15H2
InChI Key:
UFEDVFITURQGIX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1CN1CCOCCOCCOCCOCC1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.179g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.403g/mol
Monoisotopic Mass:
354.179g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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