tert-butyl 4-(2-chloro-4-nitrobenzoyl)piperazine-1-carboxylate

tert-butyl 4-(2-chloro-4-nitrobenzoyl)piperazine-1-carboxylate

CAS: 927608-11-5

Formula: C16H20ClN3O5

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C1=C(Cl)C=C(C=C1)[N+]([O-])=O

IUPAC: tert-butyl 4-(2-chloro-4-nitrobenzoyl)piperazine-1-carboxylate

InChI: InChI=1S/C16H20ClN3O5/c1-16(2,3)25-15(22)19-8-6-18(7-9-19)14(21)12-5-4-11(20(23)24)10-13(12)17/h4-5,10H,6-9H2,1-3H3

Composition: C (51.97%), H (5.45%), Cl (9.59%), N (11.36%), O (21.63%)

Molar Mass: 369.8

Atom Count: 45

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	369.1091485
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	TUYKLKQDGWYLOO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.81
Topological Polar Surface Area	92.99
Polarizability	34.83
Ring Count	2
Rotatable Bond Count	4

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