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tert-butyl N-[1-(2-nitrophenyl)piperidin-3-yl]carbamate

tert-butyl N-[1-(2-nitrophenyl)piperidin-3-yl]carbamate

CAS: 1052704-92-3

Formula: C16H23N3O4

SMILES: CC(C)(C)OC(=O)NC1CCCN(C1)C1=C(C=CC=C1)[N+]([O-])=O

IUPAC: tert-butyl N-[1-(2-nitrophenyl)piperidin-3-yl]carbamate

InChI: InChI=1/C16H23N3O4/c1-16(2,3)23-15(20)17-12-7-6-10-18(11-12)13-8-4-5-9-14(13)19(21)22/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,17,20)

Composition: C (59.80%), H (7.21%), N (13.08%), O (19.91%)

Molar Mass: 321.377

Atom Count: 46

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 321.168856233
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey NGEVAZIADBQPGZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.84
Topological Polar Surface Area 84.71
Polarizability 32.96
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1052704-92-3 $2,200.00-$3,960.00$2,200.00$3,080.00$3,960.00
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