tert-butyl 3-(2-nitrophenoxy)piperidine-1-carboxylate

tert-butyl 3-(2-nitrophenoxy)piperidine-1-carboxylate

CAS: 690632-67-8

Formula: C16H22N2O5

SMILES: CC(C)(C)OC(=O)N1CCCC(C1)OC1=CC=CC=C1[N+]([O-])=O

IUPAC: tert-butyl 3-(2-nitrophenoxy)piperidine-1-carboxylate

InChI: InChI=1/C16H22N2O5/c1-16(2,3)23-15(19)17-10-6-7-12(11-17)22-14-9-5-4-8-13(14)18(20)21/h4-5,8-9,12H,6-7,10-11H2,1-3H3

Composition: C (59.62%), H (6.88%), N (8.69%), O (24.82%)

Molar Mass: 322.361

Atom Count: 45

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	322.152871816
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	LDTYGQILEXWEFJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.77
Topological Polar Surface Area	81.91
Polarizability	32.52
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	690632-67-8		$301.19-$756.59$301.19$756.59