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Home > Nitro Compounds > 14467-68-6
14467-68-6 | Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[4-nitro-
CAS No: 14467-68-6 Catalog No: AG001JZ7 MDL No:MFCD00024689
Product Description
Catalog Number:
AG001JZ7
Chemical Name:
Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[4-nitro-
CAS Number:
14467-68-6
Molecular Formula:
C16H16N2O6
Molecular Weight:
332.3080
MDL Number:
MFCD00024689
IUPAC Name:
1-nitro-4-[4-(4-nitrophenoxy)butoxy]benzene
InChI:
InChI=1S/C16H16N2O6/c19-17(20)13-3-7-15(8-4-13)23-11-1-2-12-24-16-9-5-14(6-10-16)18(21)22/h3-10H,1-2,11-12H2
InChI Key:
KYECJWDYCBVFHN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
354
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:
4.5
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