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tert-butyl 3-[(4-fluorophenyl)sulfanyl]pyrrolidine-1-carboxylate

tert-butyl 3-[(4-fluorophenyl)sulfanyl]pyrrolidine-1-carboxylate

Formula: C15H20FNO2S

SMILES: CC(C)(C)OC(=O)N1CCC(C1)SC1=CC=C(F)C=C1

IUPAC: tert-butyl 3-[(4-fluorophenyl)sulfanyl]pyrrolidine-1-carboxylate

InChI: InChI=1/C15H20FNO2S/c1-15(2,3)19-14(18)17-9-8-13(10-17)20-12-6-4-11(16)5-7-12/h4-7,13H,8-10H2,1-3H3

Composition: C (60.58%), H (6.78%), F (6.39%), N (4.71%), O (10.76%), S (10.78%)

Molar Mass: 297.39

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 297.119878225
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey AUGONQZUUQXPDK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.49
Topological Polar Surface Area 29.54
Polarizability 30.79
Ring Count 2
Rotatable Bond Count 4

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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C15H20FNO2S Quote Only
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