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139927-61-0 | Benzothiazole, 6-ethoxy-2-[4-(octyloxy)phenyl]-
CAS No: 139927-61-0 Catalog No: AG001BT4 MDL No:
Product Description
Catalog Number:
AG001BT4
Chemical Name:
Benzothiazole, 6-ethoxy-2-[4-(octyloxy)phenyl]-
CAS Number:
139927-61-0
Molecular Formula:
C23H29NO2S
Molecular Weight:
383.5469
IUPAC Name:
6-ethoxy-2-(4-octoxyphenyl)-1,3-benzothiazole
InChI:
InChI=1S/C23H29NO2S/c1-3-5-6-7-8-9-16-26-19-12-10-18(11-13-19)23-24-21-15-14-20(25-4-2)17-22(21)27-23/h10-15,17H,3-9,16H2,1-2H3
InChI Key:
HVDFNLQXJBYPNC-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)c1sc2c(n1)ccc(c2)OCC
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.192g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.55g/mol
Monoisotopic Mass:
383.192g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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