tert-butyl 3-[(4-methylbenzenesulfonyl)oxy]pyrrolidine-1-carboxylate

tert-butyl 3-[(4-methylbenzenesulfonyl)oxy]pyrrolidine-1-carboxylate

CAS: 103057-45-0

Formula: C16H23NO5S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC1CCN(C1)C(=O)OC(C)(C)C

IUPAC: tert-butyl 3-[(4-methylbenzenesulfonyl)oxy]pyrrolidine-1-carboxylate

InChI: InChI=1/C16H23NO5S/c1-12-5-7-14(8-6-12)23(19,20)22-13-9-10-17(11-13)15(18)21-16(2,3)4/h5-8,13H,9-11H2,1-4H3

Composition: C (56.29%), H (6.79%), N (4.10%), O (23.43%), S (9.39%)

Molar Mass: 341.42

Atom Count: 46

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	341.129694019
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MWACHFODPQVXHF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.49
Topological Polar Surface Area	72.91
Polarizability	34.72
Ring Count	2
Rotatable Bond Count	5

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95%	<5 Days	103057-45-0		$1,600.00-$2,970.00$1,600.00$2,200.00$2,970.00