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Home > Nitro Compounds > 14467-66-4
14467-66-4 | Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[3-nitro-
CAS No: 14467-66-4 Catalog No: AG001JZ8 MDL No:
Product Description
Catalog Number:
AG001JZ8
Chemical Name:
Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[3-nitro-
CAS Number:
14467-66-4
Molecular Formula:
C16H16N2O6
Molecular Weight:
332.3080
IUPAC Name:
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
InChI:
InChI=1S/C16H16N2O6/c19-17(20)13-5-3-7-15(11-13)23-9-1-2-10-24-16-8-4-6-14(12-16)18(21)22/h3-8,11-12H,1-2,9-10H2
InChI Key:
QPRWHRQOHBUZMI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)OCCCCOc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.101g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.312g/mol
Monoisotopic Mass:
332.101g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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