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1-{[1,1'-biphenyl]-4-yl}-3-[(4-fluorophenyl)sulfanyl]propan-1-one

1-{[1,1'-biphenyl]-4-yl}-3-[(4-fluorophenyl)sulfanyl]propan-1-one

CAS: 882749-09-9

Formula: C21H17FOS

SMILES: FC1=CC=C(SCCC(=O)C2=CC=C(C=C2)C2=CC=CC=C2)C=C1

IUPAC: 1-{[1,1'-biphenyl]-4-yl}-3-[(4-fluorophenyl)sulfanyl]propan-1-one

InChI: InChI=1S/C21H17FOS/c22-19-10-12-20(13-11-19)24-15-14-21(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13H,14-15H2

Composition: C (74.97%), H (5.09%), F (5.65%), O (4.76%), S (9.53%)

Molar Mass: 336.42

Atom Count: 41

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 336.098414504
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XNXRESHNSZWYGH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 98.82
Topological Polar Surface Area 17.07
Polarizability 39.18
Ring Count 3
Rotatable Bond Count 6

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