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128709-98-8 | Benzo[c]thiophene, 1,3-bis(4-methoxyphenyl)-
CAS No: 128709-98-8 Catalog No: AG000YBN MDL No:
Product Description
Catalog Number:
AG000YBN
Chemical Name:
Benzo[c]thiophene, 1,3-bis(4-methoxyphenyl)-
CAS Number:
128709-98-8
Molecular Formula:
C22H18O2S
Molecular Weight:
346.4421
IUPAC Name:
1,3-bis(4-methoxyphenyl)-2-benzothiophene
InChI:
InChI=1S/C22H18O2S/c1-23-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)22(25-21)16-9-13-18(24-2)14-10-16/h3-14H,1-2H3
InChI Key:
FBJKRPSDEFNGRT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1sc(c2c1cccc2)c1ccc(cc1)OC
Properties
Complexity:
374
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:
6.1
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