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89787-42-8 | Ethanol, 2-[[2-[[4-(dimethylamino)phenyl]azo]-6-benzothiazolyl]oxy]-
CAS No: 89787-42-8 Catalog No: AG003YH8 MDL No:
Product Description
Catalog Number:
AG003YH8
Chemical Name:
Ethanol, 2-[[2-[[4-(dimethylamino)phenyl]azo]-6-benzothiazolyl]oxy]-
CAS Number:
89787-42-8
Molecular Formula:
C17H18N4O2S
Molecular Weight:
342.4154
IUPAC Name:
2-[[2-[[4-(dimethylamino)phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethanol
InChI:
InChI=1S/C17H18N4O2S/c1-21(2)13-5-3-12(4-6-13)19-20-17-18-15-8-7-14(23-10-9-22)11-16(15)24-17/h3-8,11,22H,9-10H2,1-2H3
InChI Key:
AOLXWTWCWKKXJU-UHFFFAOYSA-N
SMILES:
OCCOc1ccc2c(c1)sc(n2)N=Nc1ccc(cc1)N(C)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.417g/mol
Monoisotopic Mass:
342.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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