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Home > Aldehydes > 137015-69-1
137015-69-1 | Benzaldehyde, 4-[[6-[4-[2-(4-nitrophenyl)diazenyl]phenoxy]hexyl]oxy]-
CAS No: 137015-69-1 Catalog No: AG0012PJ MDL No:
Product Description
Catalog Number:
AG0012PJ
Chemical Name:
Benzaldehyde, 4-[[6-[4-[2-(4-nitrophenyl)diazenyl]phenoxy]hexyl]oxy]-
CAS Number:
137015-69-1
Molecular Formula:
C25H25N3O5
Molecular Weight:
447.4831
IUPAC Name:
4-[6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexoxy]benzaldehyde
InChI:
InChI=1S/C25H25N3O5/c29-19-20-5-13-24(14-6-20)32-17-3-1-2-4-18-33-25-15-9-22(10-16-25)27-26-21-7-11-23(12-8-21)28(30)31/h5-16,19H,1-4,17-18H2
InChI Key:
MIKKLUBALIQGSX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCCCCCCOc1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.179g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.491g/mol
Monoisotopic Mass:
447.179g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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