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

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

CAS: 477711-14-1

Formula: C23H18BrFN2O3S

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

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

InChI: InChI=1/C23H18BrFN2O3S/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 (55.10%), H (3.62%), Br (15.94%), F (3.79%), N (5.59%), O (9.57%), S (6.39%)

Molar Mass: 501.37

Atom Count: 49

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 500.020555
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey BUGCDBGETZKABP-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 120.79
Topological Polar Surface Area 61.19
Polarizability 48.11
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477711-14-1 $51.35-$86.31$51.35$63.37$86.31
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