tert-butyl 3-(4-chlorobenzenesulfonyl)azetidine-1-carboxylate

tert-butyl 3-(4-chlorobenzenesulfonyl)azetidine-1-carboxylate

CAS: 887593-63-7

Formula: C14H18ClNO4S

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

IUPAC: tert-butyl 3-(4-chlorobenzenesulfonyl)azetidine-1-carboxylate

InChI: InChI=1S/C14H18ClNO4S/c1-14(2,3)20-13(17)16-8-12(9-16)21(18,19)11-6-4-10(15)5-7-11/h4-7,12H,8-9H2,1-3H3

Composition: C (50.68%), H (5.47%), Cl (10.68%), N (4.22%), O (19.29%), S (9.66%)

Molar Mass: 331.81

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	331.0645069
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DNASMWKSWALNLE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.91
Topological Polar Surface Area	63.68
Polarizability	32.33
Ring Count	2
Rotatable Bond Count	4

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95%	<5 Days	887593-63-7		$2,200.00-$4,936.00$2,200.00$3,630.00$4,936.00