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143662-02-6

143662-02-6 | 1-Naphthalenol, 4-[(1-ethylpentyl)oxy]-2-(1-isoquinolinylazo)-

CAS No: 143662-02-6 Catalog No: AG006U8P MDL No:

Product Description

Catalog Number:
AG006U8P
Chemical Name:
1-Naphthalenol, 4-[(1-ethylpentyl)oxy]-2-(1-isoquinolinylazo)-
CAS Number:
143662-02-6
Molecular Formula:
C26H27N3O2
Molecular Weight:
413.5115
IUPAC Name:
4-heptan-3-yloxy-2-(isoquinolin-1-yldiazenyl)naphthalen-1-ol
InChI:
InChI=1S/C26H27N3O2/c1-3-5-11-19(4-2)31-24-17-23(25(30)22-14-9-8-13-21(22)24)28-29-26-20-12-7-6-10-18(20)15-16-27-26/h6-10,12-17,19,30H,3-5,11H2,1-2H3
InChI Key:
DYBCHGMBCHKXLM-UHFFFAOYSA-N
SMILES:
CCCCC(Oc1cc(N=Nc2nccc3c2cccc3)c(c2c1cccc2)O)CC

Properties

Complexity:
571  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.21g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
413.521g/mol
Monoisotopic Mass:
413.21g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8  

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