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89703-85-5 | Benzo[b]thiophene, 6-methoxy-3-(4-methoxyphenyl)-2-phenyl-
CAS No: 89703-85-5 Catalog No: AG0042LT MDL No:
Product Description
Catalog Number:
AG0042LT
Chemical Name:
Benzo[b]thiophene, 6-methoxy-3-(4-methoxyphenyl)-2-phenyl-
CAS Number:
89703-85-5
Molecular Formula:
C22H18O2S
Molecular Weight:
346.4421
IUPAC Name:
6-methoxy-3-(4-methoxyphenyl)-2-phenyl-1-benzothiophene
InChI:
InChI=1S/C22H18O2S/c1-23-17-10-8-15(9-11-17)21-19-13-12-18(24-2)14-20(19)25-22(21)16-6-4-3-5-7-16/h3-14H,1-2H3
InChI Key:
NCFNGFQXWYIISF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(sc2c1ccc(c2)OC)c1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.103g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.444g/mol
Monoisotopic Mass:
346.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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