4-(4-bromobenzenesulfonyl)-1-oxa-4-azaspiro[4.5]decane

4-(4-bromobenzenesulfonyl)-1-oxa-4-azaspiro[4.5]decane

CAS: 866155-26-2

Formula: C14H18BrNO3S

SMILES: BrC1=CC=C(C=C1)S(=O)(=O)N1CCOC11CCCCC1

IUPAC: 4-(4-bromobenzenesulfonyl)-1-oxa-4-azaspiro[4.5]decane

InChI: InChI=1S/C14H18BrNO3S/c15-12-4-6-13(7-5-12)20(17,18)16-10-11-19-14(16)8-2-1-3-9-14/h4-7H,1-3,8-11H2

Composition: C (46.67%), H (5.04%), Br (22.18%), N (3.89%), O (13.32%), S (8.90%)

Molar Mass: 360.27

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	359.019078
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VZUSEENLJQSZRS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.12
Topological Polar Surface Area	46.61
Polarizability	32.43
Ring Count	3
Rotatable Bond Count	1

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90%	<2 Days	866155-26-2		$51.35-$524.40$51.35$63.37$86.31$524.40