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132932-62-8 | Ethanone, 1-(4-benzo[b]thien-2-ylphenyl)-
CAS No: 132932-62-8 Catalog No: AG0011EH MDL No:
Product Description
Catalog Number:
AG0011EH
Chemical Name:
Ethanone, 1-(4-benzo[b]thien-2-ylphenyl)-
CAS Number:
132932-62-8
Molecular Formula:
C16H12OS
Molecular Weight:
252.3309
IUPAC Name:
[4-(1-benzothiophen-2-yl)phenyl] acetate
InChI:
InChI=1S/C16H12O2S/c1-11(17)18-14-8-6-12(7-9-14)16-10-13-4-2-3-5-15(13)19-16/h2-10H,1H3
InChI Key:
DHRGTVQDDWWSMS-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)c1cc2c(s1)cccc2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.33g/mol
Monoisotopic Mass:
268.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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