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158358-17-9 | Ethanone, 2-bromo-1-[3-(2-phenylethyl)-2-benzofuranyl]-
CAS No: 158358-17-9 Catalog No: AG001Q4K MDL No:
Product Description
Catalog Number:
AG001Q4K
Chemical Name:
Ethanone, 2-bromo-1-[3-(2-phenylethyl)-2-benzofuranyl]-
CAS Number:
158358-17-9
Molecular Formula:
C18H15BrO2
Molecular Weight:
343.2145
IUPAC Name:
2-bromo-1-[3-(2-phenylethyl)-1-benzofuran-2-yl]ethanone
InChI:
InChI=1S/C18H15BrO2/c19-12-16(20)18-15(11-10-13-6-2-1-3-7-13)14-8-4-5-9-17(14)21-18/h1-9H,10-12H2
InChI Key:
PEXBCCVATOSBIH-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1oc2c(c1CCc1ccccc1)cccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.026g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.22g/mol
Monoisotopic Mass:
342.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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