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tert-butyl 3-(3,4-dichlorophenyl)piperazine-1-carboxylate

tert-butyl 3-(3,4-dichlorophenyl)piperazine-1-carboxylate

CAS: 185110-16-1

Formula: C15H20Cl2N2O2

SMILES: CC(C)(C)OC(=O)N1CCNC(C1)C1=CC=C(Cl)C(Cl)=C1

IUPAC: tert-butyl 3-(3,4-dichlorophenyl)piperazine-1-carboxylate

InChI: InChI=1/C15H20Cl2N2O2/c1-15(2,3)21-14(20)19-7-6-18-13(9-19)10-4-5-11(16)12(17)8-10/h4-5,8,13,18H,6-7,9H2,1-3H3

Composition: C (54.39%), H (6.09%), Cl (21.40%), N (8.46%), O (9.66%)

Molar Mass: 331.24

Atom Count: 41

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 330.0901833
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ADEHFOWFGHHJGT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.34
Topological Polar Surface Area 41.57
Polarizability 33.4
Ring Count 2
Rotatable Bond Count 3

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