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89539-64-0 | Benzothiazole, 2,5-dimethoxy-6-(phenylmethoxy)-
CAS No: 89539-64-0 Catalog No: AG008766 MDL No:
Product Description
Catalog Number:
AG008766
Chemical Name:
Benzothiazole, 2,5-dimethoxy-6-(phenylmethoxy)-
CAS Number:
89539-64-0
Molecular Formula:
C16H15NO3S
Molecular Weight:
301.3602
IUPAC Name:
2,5-dimethoxy-6-phenylmethoxy-1,3-benzothiazole
InChI:
InChI=1S/C16H15NO3S/c1-18-13-8-12-15(21-16(17-12)19-2)9-14(13)20-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChI Key:
BOFYYZVNAOWFRX-UHFFFAOYSA-N
SMILES:
COc1cc2nc(sc2cc1OCc1ccccc1)OC
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.077g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.36g/mol
Monoisotopic Mass:
301.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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