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3,4-dichloro-N-[4-(4-chlorobenzenesulfonyl)-3-cyanophenyl]benzamide

3,4-dichloro-N-[4-(4-chlorobenzenesulfonyl)-3-cyanophenyl]benzamide

CAS: 477866-83-4

Formula: C20H11Cl3N2O3S

SMILES: ClC1=CC=C(C=C1)S(=O)(=O)C1=C(C=C(NC(=O)C2=CC(Cl)=C(Cl)C=C2)C=C1)C#N

IUPAC: 3,4-dichloro-N-[4-(4-chlorobenzenesulfonyl)-3-cyanophenyl]benzamide

InChI: InChI=1S/C20H11Cl3N2O3S/c21-14-2-5-16(6-3-14)29(27,28)19-8-4-15(9-13(19)11-24)25-20(26)12-1-7-17(22)18(23)10-12/h1-10H,(H,25,26)

Composition: C (51.58%), H (2.38%), Cl (22.84%), N (6.02%), O (10.31%), S (6.88%)

Molar Mass: 465.73

Atom Count: 40

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 463.9555965
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DINCHROZVVPUGH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 115.26
Topological Polar Surface Area 87.03
Polarizability 44.55
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477866-83-4 $51.35-$86.31$51.35$63.37$86.31
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