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4-methanesulfonylazepane hydrochloride

4-methanesulfonylazepane hydrochloride

CAS: 1803589-61-8

Formula: C7H16ClNO2S

SMILES: Cl.CS(=O)(=O)C1CCCNCC1

IUPAC: 4-methanesulfonylazepane hydrochloride

InChI: InChI=1/C7H15NO2S.ClH/c1-11(9,10)7-3-2-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H

Composition: C (39.34%), H (7.55%), Cl (16.59%), N (6.55%), O (14.97%), S (15.00%)

Molar Mass: 213.72

Atom Count: 28

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 213.0590276
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VKMZNHXKWIVDJQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.17
Topological Polar Surface Area 46.17
Polarizability 18.61
Ring Count 1
Rotatable Bond Count 1

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95% <5 Days 1803589-61-8 $158.89-$651.94$158.89$253.46$421.17$651.94
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