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1-benzoyl-4-[(4-chlorophenyl)methyl]piperazine

1-benzoyl-4-[(4-chlorophenyl)methyl]piperazine

Formula: C18H19ClN2O

SMILES: ClC1=CC=C(CN2CCN(CC2)C(=O)C2=CC=CC=C2)C=C1

IUPAC: 1-benzoyl-4-[(4-chlorophenyl)methyl]piperazine

InChI: InChI=1S/C18H19ClN2O/c19-17-8-6-15(7-9-17)14-20-10-12-21(13-11-20)18(22)16-4-2-1-3-5-16/h1-9H,10-14H2

Composition: C (68.68%), H (6.08%), Cl (11.26%), N (8.90%), O (5.08%)

Molar Mass: 314.81

Atom Count: 41

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 314.1185909
Formal Charge 0
FSP3 0.28
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey HTZJJPRGYAVVHY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.4
Topological Polar Surface Area 23.55
Polarizability 34.62
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H19ClN2O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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