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114043-50-4 | Benzonitrile, 4-[2-[4-[(8-bromooctyl)oxy]phenyl]diazenyl]-
CAS No: 114043-50-4 Catalog No: AG000AE9 MDL No:
Product Description
Catalog Number:
AG000AE9
Chemical Name:
Benzonitrile, 4-[2-[4-[(8-bromooctyl)oxy]phenyl]diazenyl]-
CAS Number:
114043-50-4
Molecular Formula:
C21H24BrN3O
Molecular Weight:
414.3388
IUPAC Name:
4-[[4-(8-bromooctoxy)phenyl]diazenyl]benzonitrile
InChI:
InChI=1S/C21H24BrN3O/c22-15-5-3-1-2-4-6-16-26-21-13-11-20(12-14-21)25-24-19-9-7-18(17-23)8-10-19/h7-14H,1-6,15-16H2
InChI Key:
CUMOCBXDPYETKY-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCOc1ccc(cc1)N=Nc1ccc(cc1)C#N
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.11g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.347g/mol
Monoisotopic Mass:
413.11g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Literature
| Title | Journal |
|---|---|
| Synthesis and properties of poly(4-vinylpyridine-co-styrene) with pendant azobenzonitrile moieties. | Journal of nanoscience and nanotechnology 20110501 |
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