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Home > Nitro Compounds > 7511-70-8
7511-70-8 | 1-nitro-4-[6-(4-nitrophenoxy)hexoxy]benzene
CAS No: 7511-70-8 Catalog No: AG0056LB MDL No:MFCD00024691
Product Description
Catalog Number:
AG0056LB
Chemical Name:
1-nitro-4-[6-(4-nitrophenoxy)hexoxy]benzene
CAS Number:
7511-70-8
Molecular Formula:
C18H20N2O6
Molecular Weight:
360.3612
MDL Number:
MFCD00024691
IUPAC Name:
1-nitro-4-[6-(4-nitrophenoxy)hexoxy]benzene
InChI:
InChI=1S/C18H20N2O6/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2
InChI Key:
WRMYGZIKCXNMQO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCCCCCOc1ccc(cc1)[N+](=O)[O-]
NSC Number:
31387
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.366g/mol
Monoisotopic Mass:
360.132g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| 4,4'-(Hexane-1,6-diyldi-oxy)dianiline. | Acta crystallographica. Section E, Structure reports online 20090501 |
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