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3-[1-({2-fluoro-[1,1'-biphenyl]-4-yl}oxy)ethyl]-1-(4-fluorobenzenesulfonyl)pyrazole

3-[1-({2-fluoro-[1,1'-biphenyl]-4-yl}oxy)ethyl]-1-(4-fluorobenzenesulfonyl)pyrazole

CAS: 477711-02-7

Formula: C23H18F2N2O3S

SMILES: CC(OC1=CC(F)=C(C=C1)C1=CC=CC=C1)C1=NN(C=C1)S(=O)(=O)C1=CC=C(F)C=C1

IUPAC: 3-[1-({2-fluoro-[1,1'-biphenyl]-4-yl}oxy)ethyl]-1-(4-fluorobenzenesulfonyl)-1H-pyrazole

InChI: InChI=1/C23H18F2N2O3S/c1-16(30-19-9-12-21(22(25)15-19)17-5-3-2-4-6-17)23-13-14-27(26-23)31(28,29)20-10-7-18(24)8-11-20/h2-16H,1H3

Composition: C (62.72%), H (4.12%), F (8.63%), N (6.36%), O (10.90%), S (7.28%)

Molar Mass: 440.46

Atom Count: 49

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 440.100619948
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey SWYBCDWOHYZYQB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 113.38
Topological Polar Surface Area 61.19
Polarizability 45.04
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477711-02-7 $51.35-$86.31$51.35$63.37$86.31
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