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1-phenylmethanesulfonylazepane

1-phenylmethanesulfonylazepane

Formula: C13H19NO2S

SMILES: O=S(=O)(CC1=CC=CC=C1)N1CCCCCC1

IUPAC: 1-phenylmethanesulfonylazepane

InChI: InChI=1S/C13H19NO2S/c15-17(16,12-13-8-4-3-5-9-13)14-10-6-1-2-7-11-14/h3-5,8-9H,1-2,6-7,10-12H2

Composition: C (61.63%), H (7.56%), N (5.53%), O (12.63%), S (12.65%)

Molar Mass: 253.36

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 253.11365003
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey CRWUIWIYBHVTQV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.34
Topological Polar Surface Area 37.38
Polarizability 27.79
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H19NO2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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