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87523-41-9

87523-41-9 | Phenol, 2-[(4-bromophenyl)azo]-5-[[(4-butoxyphenyl)methyl]amino]-

CAS No: 87523-41-9 Catalog No: AG004DJ4 MDL No:

Product Description

Catalog Number:
AG004DJ4
Chemical Name:
Phenol, 2-[(4-bromophenyl)azo]-5-[[(4-butoxyphenyl)methyl]amino]-
CAS Number:
87523-41-9
Molecular Formula:
C23H24BrN3O2
Molecular Weight:
454.3596
IUPAC Name:
2-[(4-bromophenyl)diazenyl]-5-[(4-butoxyphenyl)methylamino]phenol
InChI:
InChI=1S/C23H24BrN3O2/c1-2-3-14-29-21-11-4-17(5-12-21)16-25-20-10-13-22(23(28)15-20)27-26-19-8-6-18(24)7-9-19/h4-13,15,25,28H,2-3,14,16H2,1H3
InChI Key:
ZQHQTUCOBSRJBX-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)CNc1ccc(c(c1)O)N=Nc1ccc(cc1)Br

Properties

Complexity:
477  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.105g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
454.368g/mol
Monoisotopic Mass:
453.105g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7  

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