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2-chloro-5-{3-[(2-methylpropane-2-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}pyridine

2-chloro-5-{3-[(2-methylpropane-2-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}pyridine

CAS: 680216-16-4

Formula: C12H14ClN3O3S

SMILES: CC(C)(C)S(=O)(=O)CC1=NOC(=N1)C1=CN=C(Cl)C=C1

IUPAC: 2-chloro-5-{3-[(2-methylpropane-2-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}pyridine

InChI: InChI=1S/C12H14ClN3O3S/c1-12(2,3)20(17,18)7-10-15-11(19-16-10)8-4-5-9(13)14-6-8/h4-6H,7H2,1-3H3

Composition: C (45.64%), H (4.47%), Cl (11.23%), N (13.31%), O (15.20%), S (10.15%)

Molar Mass: 315.77

Atom Count: 34

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 315.0444402
Formal Charge 0
FSP3 0.42
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey MNNRDOGNKGSOGV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.39
Topological Polar Surface Area 85.95
Polarizability 30.24
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 680216-16-4 $51.35-$86.31$51.35$63.37$86.31
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