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113561-22-1 | Benzoic acid, 2-[2-[4-(dibutylamino)phenyl]diazenyl]-
CAS No: 113561-22-1 Catalog No: AG0008ZQ MDL No:
Product Description
Catalog Number:
AG0008ZQ
Chemical Name:
Benzoic acid, 2-[2-[4-(dibutylamino)phenyl]diazenyl]-
CAS Number:
113561-22-1
Molecular Formula:
C21H27N3O2
Molecular Weight:
353.4580
IUPAC Name:
2-[[4-(dibutylamino)phenyl]diazenyl]benzoic acid
InChI:
InChI=1S/C21H27N3O2/c1-3-5-15-24(16-6-4-2)18-13-11-17(12-14-18)22-23-20-10-8-7-9-19(20)21(25)26/h7-14H,3-6,15-16H2,1-2H3,(H,25,26)
InChI Key:
BEZWHRTXEQHKHI-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)CCCC
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.21g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.466g/mol
Monoisotopic Mass:
353.21g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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