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114838-47-0 | Benzo[b]thiophene, 3-(1-phenylethyl)-
CAS No: 114838-47-0 Catalog No: AG000FBG MDL No:
Product Description
Catalog Number:
AG000FBG
Chemical Name:
Benzo[b]thiophene, 3-(1-phenylethyl)-
CAS Number:
114838-47-0
Molecular Formula:
C16H14S
Molecular Weight:
238.3474
IUPAC Name:
3-(1-phenylethyl)-1-benzothiophene
InChI:
InChI=1S/C16H14S/c1-12(13-7-3-2-4-8-13)15-11-17-16-10-6-5-9-14(15)16/h2-12H,1H3
InChI Key:
JASZWJZMLKUIQF-UHFFFAOYSA-N
SMILES:
CC(c1csc2c1cccc2)c1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.348g/mol
Monoisotopic Mass:
238.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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