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5-(4-chlorobenzenesulfonyl)-4-phenyl-2-(pyridin-3-yl)pyrimidine

5-(4-chlorobenzenesulfonyl)-4-phenyl-2-(pyridin-3-yl)pyrimidine

CAS: 339110-20-2

Formula: C21H14ClN3O2S

SMILES: ClC1=CC=C(C=C1)S(=O)(=O)C1=C(N=C(N=C1)C1=CN=CC=C1)C1=CC=CC=C1

IUPAC: 5-(4-chlorobenzenesulfonyl)-4-phenyl-2-(pyridin-3-yl)pyrimidine

InChI: InChI=1S/C21H14ClN3O2S/c22-17-8-10-18(11-9-17)28(26,27)19-14-24-21(16-7-4-12-23-13-16)25-20(19)15-5-2-1-3-6-15/h1-14H

Composition: C (61.84%), H (3.46%), Cl (8.69%), N (10.30%), O (7.85%), S (7.86%)

Molar Mass: 407.87

Atom Count: 42

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 407.0495256
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey VBJKNLBTWVPDMS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 119.08
Topological Polar Surface Area 72.81
Polarizability 44.82
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339110-20-2 $51.35-$86.31$51.35$63.37$86.31
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