[1-(4-bromobenzenesulfonyl)piperidin-3-yl]methanol

[1-(4-bromobenzenesulfonyl)piperidin-3-yl]methanol

CAS: 924869-08-9

Formula: C12H16BrNO3S

SMILES: OCC1CCCN(C1)S(=O)(=O)C1=CC=C(Br)C=C1

IUPAC: [1-(4-bromobenzenesulfonyl)piperidin-3-yl]methanol

InChI: InChI=1/C12H16BrNO3S/c13-11-3-5-12(6-4-11)18(16,17)14-7-1-2-10(8-14)9-15/h3-6,10,15H,1-2,7-9H2

Composition: C (43.12%), H (4.83%), Br (23.91%), N (4.19%), O (14.36%), S (9.59%)

Molar Mass: 334.23

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	333.003428
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PLEKJKQHXJCQQW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.08
Topological Polar Surface Area	57.61
Polarizability	29.43
Ring Count	2
Rotatable Bond Count	2

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Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	924869-08-9		$51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43