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tert-butyl 3-(4-fluorobenzenesulfonyl)pyrrolidine-1-carboxylate

tert-butyl 3-(4-fluorobenzenesulfonyl)pyrrolidine-1-carboxylate

CAS: 887587-51-1

Formula: C15H20FNO4S

SMILES: CC(C)(C)OC(=O)N1CCC(C1)S(=O)(=O)C1=CC=C(F)C=C1

IUPAC: tert-butyl 3-(4-fluorobenzenesulfonyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C15H20FNO4S/c1-15(2,3)21-14(18)17-9-8-13(10-17)22(19,20)12-6-4-11(16)5-7-12/h4-7,13H,8-10H2,1-3H3

Composition: C (54.70%), H (6.12%), F (5.77%), N (4.25%), O (19.43%), S (9.73%)

Molar Mass: 329.39

Atom Count: 42

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 329.109707465
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey SRDWIHGJVMGGGW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.19
Topological Polar Surface Area 63.68
Polarizability 31.97
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 887587-51-1 $2,200.00-$3,960.00$2,200.00$3,080.00$3,960.00
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