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139927-57-4 | Benzothiazole, 2-(4-butoxyphenyl)-6-methoxy-
CAS No: 139927-57-4 Catalog No: AG001BT5 MDL No:
Product Description
Catalog Number:
AG001BT5
Chemical Name:
Benzothiazole, 2-(4-butoxyphenyl)-6-methoxy-
CAS Number:
139927-57-4
Molecular Formula:
C18H19NO2S
Molecular Weight:
313.4140
IUPAC Name:
2-(4-butoxyphenyl)-6-methoxy-1,3-benzothiazole
InChI:
InChI=1S/C18H19NO2S/c1-3-4-11-21-14-7-5-13(6-8-14)18-19-16-10-9-15(20-2)12-17(16)22-18/h5-10,12H,3-4,11H2,1-2H3
InChI Key:
GCTFHXLZQFXLPU-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)c1nc2c(s1)cc(cc2)OC
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.415g/mol
Monoisotopic Mass:
313.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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