tert-butyl 3-(3-bromobenzenesulfonyl)azetidine-1-carboxylate

tert-butyl 3-(3-bromobenzenesulfonyl)azetidine-1-carboxylate

CAS: 887593-56-8

Formula: C14H18BrNO4S

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

IUPAC: tert-butyl 3-(3-bromobenzenesulfonyl)azetidine-1-carboxylate

InChI: InChI=1S/C14H18BrNO4S/c1-14(2,3)20-13(17)16-8-12(9-16)21(18,19)11-6-4-5-10(15)7-11/h4-7,12H,8-9H2,1-3H3

Composition: C (44.69%), H (4.82%), Br (21.24%), N (3.72%), O (17.01%), S (8.52%)

Molar Mass: 376.27

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	375.013992
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BUQVTVFDTYJIHX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.73
Topological Polar Surface Area	63.68
Polarizability	33.29
Ring Count	2
Rotatable Bond Count	4

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