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tert-butyl 3-(3-carbamoylbenzenesulfonyl)azetidine-1-carboxylate

tert-butyl 3-(3-carbamoylbenzenesulfonyl)azetidine-1-carboxylate

CAS: 887586-99-4

Formula: C15H20N2O5S

SMILES: CC(C)(C)OC(=O)N1CC(C1)S(=O)(=O)C1=CC(=CC=C1)C(N)=O

IUPAC: tert-butyl 3-(3-carbamoylbenzenesulfonyl)azetidine-1-carboxylate

InChI: InChI=1S/C15H20N2O5S/c1-15(2,3)22-14(19)17-8-12(9-17)23(20,21)11-6-4-5-10(7-11)13(16)18/h4-7,12H,8-9H2,1-3H3,(H2,16,18)

Composition: C (52.93%), H (5.92%), N (8.23%), O (23.50%), S (9.42%)

Molar Mass: 340.39

Atom Count: 43

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 340.109292926
Formal Charge 0
FSP3 0.47
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FUQXSGQGEWCXJO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.19
Topological Polar Surface Area 106.77
Polarizability 33.3
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 887586-99-4 $2,200.00-$4,936.00$2,200.00$3,630.00$4,936.00
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