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197588-27-5 | Benzofuran, 7-(methylthio)-2,3-diphenyl-
CAS No: 197588-27-5 Catalog No: AG002AW6 MDL No:
Product Description
Catalog Number:
AG002AW6
Chemical Name:
Benzofuran, 7-(methylthio)-2,3-diphenyl-
CAS Number:
197588-27-5
Molecular Formula:
C21H16OS
Molecular Weight:
316.4161
IUPAC Name:
7-methylsulfanyl-2,3-diphenyl-1-benzofuran
InChI:
InChI=1S/C21H16OS/c1-23-18-14-8-13-17-19(15-9-4-2-5-10-15)20(22-21(17)18)16-11-6-3-7-12-16/h2-14H,1H3
InChI Key:
FLCYRKYDBBSTBR-UHFFFAOYSA-N
SMILES:
CSc1cccc2c1oc(c2c1ccccc1)c1ccccc1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.092g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.418g/mol
Monoisotopic Mass:
316.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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