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161204-63-3 | Benzenamine, N,N-bis(4-methoxyphenyl)-4-[2-(4-nitrophenyl)diazenyl]-
CAS No: 161204-63-3 Catalog No: AG001S9P MDL No:
Product Description
Catalog Number:
AG001S9P
Chemical Name:
Benzenamine, N,N-bis(4-methoxyphenyl)-4-[2-(4-nitrophenyl)diazenyl]-
CAS Number:
161204-63-3
Molecular Formula:
C26H22N4O4
Molecular Weight:
454.4773
IUPAC Name:
N,N-bis(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
InChI:
InChI=1S/C26H22N4O4/c1-33-25-15-11-22(12-16-25)29(23-13-17-26(34-2)18-14-23)21-7-3-19(4-8-21)27-28-20-5-9-24(10-6-20)30(31)32/h3-18H,1-2H3
InChI Key:
ZVKDSMABNXNTMA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.164g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.486g/mol
Monoisotopic Mass:
454.164g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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