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89787-41-7 | Ethanol, 2-[[2-[[4-(diethylamino)phenyl]azo]-6-benzothiazolyl]oxy]-
CAS No: 89787-41-7 Catalog No: AG003ZW1 MDL No:
Product Description
Catalog Number:
AG003ZW1
Chemical Name:
Ethanol, 2-[[2-[[4-(diethylamino)phenyl]azo]-6-benzothiazolyl]oxy]-
CAS Number:
89787-41-7
Molecular Formula:
C19H22N4O2S
Molecular Weight:
370.4686
IUPAC Name:
2-[[2-[[4-(diethylamino)phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethanol
InChI:
InChI=1S/C19H22N4O2S/c1-3-23(4-2)15-7-5-14(6-8-15)21-22-19-20-17-10-9-16(25-12-11-24)13-18(17)26-19/h5-10,13,24H,3-4,11-12H2,1-2H3
InChI Key:
MZIRIJTUPODPLV-UHFFFAOYSA-N
SMILES:
OCCOc1ccc2c(c1)sc(n2)N=Nc1ccc(cc1)N(CC)CC
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.146g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.471g/mol
Monoisotopic Mass:
370.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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