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4-oxocyclohexane-1-sulfonyl chloride

4-oxocyclohexane-1-sulfonyl chloride

CAS: 1262409-43-7

Formula: C6H9ClO3S

SMILES: ClS(=O)(=O)C1CCC(=O)CC1

IUPAC: 4-oxocyclohexane-1-sulfonyl chloride

InChI: InChI=1S/C6H9ClO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h6H,1-4H2

Composition: C (36.65%), H (4.61%), Cl (18.03%), O (24.41%), S (16.30%)

Molar Mass: 196.65

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 195.996093
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey IJOOLKIYFVIJNU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.01
Topological Polar Surface Area 51.21
Polarizability 17.36
Ring Count 1
Rotatable Bond Count 1

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