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

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

CAS: 605655-08-1

Formula: C15H21NO5S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC1CN(C1)C(=O)OC(C)(C)C

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

InChI: InChI=1S/C15H21NO5S/c1-11-5-7-13(8-6-11)22(18,19)21-12-9-16(10-12)14(17)20-15(2,3)4/h5-8,12H,9-10H2,1-4H3

Composition: C (55.03%), H (6.47%), N (4.28%), O (24.43%), S (9.79%)

Molar Mass: 327.4

Atom Count: 43

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	327.114043954
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RIOKPEBUTRGTEA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.62
Topological Polar Surface Area	72.91
Polarizability	32.89
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	605655-08-1		$2,200.00-$3,740.00$2,200.00$2,860.00$3,740.00