1-(3-nitrobenzenesulfonyl)piperidine-3-carboxylic acid

1-(3-nitrobenzenesulfonyl)piperidine-3-carboxylic acid

CAS: 321970-60-9

Formula: C12H14N2O6S

SMILES: OC(=O)C1CCCN(C1)S(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O

IUPAC: 1-(3-nitrobenzenesulfonyl)piperidine-3-carboxylic acid

InChI: InChI=1/C12H14N2O6S/c15-12(16)9-3-2-6-13(8-9)21(19,20)11-5-1-4-10(7-11)14(17)18/h1,4-5,7,9H,2-3,6,8H2,(H,15,16)

Composition: C (45.86%), H (4.49%), N (8.91%), O (30.54%), S (10.20%)

Molar Mass: 314.31

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	314.057257353
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	AVATZSJXFSPYLU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.56
Topological Polar Surface Area	117.82
Polarizability	28.51
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	321970-60-9		$111.27-$1,977.53$111.27$182.33$364.65$988.30$1,977.53

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	321970-60-9		$39.00$39.00