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2-(2-cyanobenzenesulfinyl)-N-methylbenzamide

2-(2-cyanobenzenesulfinyl)-N-methylbenzamide

CAS: 477710-68-2

Formula: C15H12N2O2S

SMILES: CNC(=O)C1=C(C=CC=C1)S(=O)C1=C(C=CC=C1)C#N

IUPAC: 2-(2-cyanobenzenesulfinyl)-N-methylbenzamide

InChI: InChI=1/C15H12N2O2S/c1-17-15(18)12-7-3-5-9-14(12)20(19)13-8-4-2-6-11(13)10-16/h2-9H,1H3,(H,17,18)

Composition: C (63.36%), H (4.25%), N (9.85%), O (11.25%), S (11.28%)

Molar Mass: 284.33

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 284.061948808
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UDBPAUXJOZLTKP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.81
Topological Polar Surface Area 69.96
Polarizability 30.18
Ring Count 2
Rotatable Bond Count 3

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477710-68-2 $51.35-$524.40$51.35$63.37$86.31$524.40
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