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

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

CAS: 869478-16-0

Formula: C16H21ClN2O3

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=C(C=O)C=C(Cl)C=C1

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

InChI: InChI=1S/C16H21ClN2O3/c1-16(2,3)22-15(21)19-8-6-18(7-9-19)14-5-4-13(17)10-12(14)11-20/h4-5,10-11H,6-9H2,1-3H3

Composition: C (59.17%), H (6.52%), Cl (10.91%), N (8.62%), O (14.78%)

Molar Mass: 324.81

Atom Count: 43

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 324.1240702
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QYUKBCDPNJYYKP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.63
Topological Polar Surface Area 49.85
Polarizability 33.01
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 869478-16-0 $51.35-$225.06$51.35$63.37$86.31$143.12$225.06
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