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2-chloro-N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}acetamide

2-chloro-N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}acetamide

CAS: 351013-93-9

Formula: C13H15ClN2OS

SMILES: ClCC(=O)NC1=C(C#N)C2=C(CCCCCC2)S1

IUPAC: 2-chloro-N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}acetamide

InChI: InChI=1S/C13H15ClN2OS/c14-7-12(17)16-13-10(8-15)9-5-3-1-2-4-6-11(9)18-13/h1-7H2,(H,16,17)

Composition: C (55.22%), H (5.35%), Cl (12.54%), N (9.91%), O (5.66%), S (11.34%)

Molar Mass: 282.79

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 282.059362
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MAMJKPWFXZFPDS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.28
Topological Polar Surface Area 52.89
Polarizability 27.75
Ring Count 2
Rotatable Bond Count 2

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