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72395-65-4 | Benzenamine, 4-[[4-(2-benzothiazolylazo)phenyl]azo]-N,N-diethyl-
CAS No: 72395-65-4 Catalog No: AG005HSZ MDL No:
Product Description
Catalog Number:
AG005HSZ
Chemical Name:
Benzenamine, 4-[[4-(2-benzothiazolylazo)phenyl]azo]-N,N-diethyl-
CAS Number:
72395-65-4
Molecular Formula:
C23H22N6S
Molecular Weight:
414.5260
IUPAC Name:
4-[[4-(1,3-benzothiazol-2-yldiazenyl)phenyl]diazenyl]-N,N-diethylaniline
InChI:
InChI=1S/C23H22N6S/c1-3-29(4-2)20-15-13-19(14-16-20)26-25-17-9-11-18(12-10-17)27-28-23-24-21-7-5-6-8-22(21)30-23/h5-16H,3-4H2,1-2H3
InChI Key:
ZVWDLGSTMNCQCJ-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)N=Nc1ccc(cc1)N=Nc1nc2c(s1)cccc2)CC
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.163g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.531g/mol
Monoisotopic Mass:
414.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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