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131691-92-4 | Diazene, 1-[4-[(6-bromohexyl)oxy]phenyl]-2-(4-nitrophenyl)-
CAS No: 131691-92-4 Catalog No: AG000ZLB MDL No:
Product Description
Catalog Number:
AG000ZLB
Chemical Name:
Diazene, 1-[4-[(6-bromohexyl)oxy]phenyl]-2-(4-nitrophenyl)-
CAS Number:
131691-92-4
Molecular Formula:
C18H20BrN3O3
Molecular Weight:
406.2737
IUPAC Name:
[4-(6-bromohexoxy)phenyl]-(4-nitrophenyl)diazene
InChI:
InChI=1S/C18H20BrN3O3/c19-13-3-1-2-4-14-25-18-11-7-16(8-12-18)21-20-15-5-9-17(10-6-15)22(23)24/h5-12H,1-4,13-14H2
InChI Key:
IMDNDUBBIZLGLA-UHFFFAOYSA-N
SMILES:
BrCCCCCCOc1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.069g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.28g/mol
Monoisotopic Mass:
405.069g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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