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928819-74-3 | Benzothiazole, 2-[2-(4-butoxyphenyl)diazenyl]-6-methoxy-
CAS No: 928819-74-3 Catalog No: AG006KUB MDL No:
Product Description
Catalog Number:
AG006KUB
Chemical Name:
Benzothiazole, 2-[2-(4-butoxyphenyl)diazenyl]-6-methoxy-
CAS Number:
928819-74-3
Molecular Formula:
C18H19N3O2S
Molecular Weight:
341.4274
IUPAC Name:
(4-butoxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)diazene
InChI:
InChI=1S/C18H19N3O2S/c1-3-4-11-23-14-7-5-13(6-8-14)20-21-18-19-16-10-9-15(22-2)12-17(16)24-18/h5-10,12H,3-4,11H2,1-2H3
InChI Key:
VLJIYBLHXSVFQS-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)N=Nc1nc2c(s1)cc(cc2)OC
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.12g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.429g/mol
Monoisotopic Mass:
341.12g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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