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Home > Nitro Compounds > 14467-60-8
14467-60-8 | Benzene, 1,1'-[1,5-pentanediylbis(oxy)]bis[4-nitro-
CAS No: 14467-60-8 Catalog No: AG001JYD MDL No:
Product Description
Catalog Number:
AG001JYD
Chemical Name:
Benzene, 1,1'-[1,5-pentanediylbis(oxy)]bis[4-nitro-
CAS Number:
14467-60-8
Molecular Formula:
C17H18N2O6
Molecular Weight:
346.3346
IUPAC Name:
1-nitro-4-[5-(4-nitrophenoxy)pentoxy]benzene
InChI:
InChI=1S/C17H18N2O6/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2
InChI Key:
PALCOFOSTAKMDG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCCCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.339g/mol
Monoisotopic Mass:
346.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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