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167558-44-3 | Benzenamine, N-hexadecyl-4-[2-(4-nitrophenyl)diazenyl]-
CAS No: 167558-44-3 Catalog No: AG001XFY MDL No:
Product Description
Catalog Number:
AG001XFY
Chemical Name:
Benzenamine, N-hexadecyl-4-[2-(4-nitrophenyl)diazenyl]-
CAS Number:
167558-44-3
Molecular Formula:
C28H42N4O2
Molecular Weight:
466.6587
IUPAC Name:
N-hexadecyl-4-[(4-nitrophenyl)diazenyl]aniline
InChI:
InChI=1S/C28H42N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-29-25-16-18-26(19-17-25)30-31-27-20-22-28(23-21-27)32(33)34/h16-23,29H,2-15,24H2,1H3
InChI Key:
SDRWKBXEFILZQL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCNc1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.331g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
466.67g/mol
Monoisotopic Mass:
466.331g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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