tert-butyl 3-(2-cyanobenzenesulfonyl)azetidine-1-carboxylate

tert-butyl 3-(2-cyanobenzenesulfonyl)azetidine-1-carboxylate

CAS: 887593-70-6

Formula: C15H18N2O4S

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

IUPAC: tert-butyl 3-(2-cyanobenzenesulfonyl)azetidine-1-carboxylate

InChI: InChI=1S/C15H18N2O4S/c1-15(2,3)21-14(18)17-9-12(10-17)22(19,20)13-7-5-4-6-11(13)8-16/h4-7,12H,9-10H2,1-3H3

Composition: C (55.89%), H (5.63%), N (8.69%), O (19.85%), S (9.94%)

Molar Mass: 322.38

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	322.098728242
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	UCQGEQVQEKKJRE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.83
Topological Polar Surface Area	87.47
Polarizability	32.26
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	887593-70-6		$2,200.00-$4,936.00$2,200.00$3,630.00$4,936.00