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1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine

1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine

Formula: C19H22BrFN2O

SMILES: COC1=CC=C(Br)C=C1CN1CCN(CC2=CC=C(F)C=C2)CC1

IUPAC: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine

InChI: InChI=1S/C19H22BrFN2O/c1-24-19-7-4-17(20)12-16(19)14-23-10-8-22(9-11-23)13-15-2-5-18(21)6-3-15/h2-7,12H,8-11,13-14H2,1H3

Composition: C (58.02%), H (5.64%), Br (20.32%), F (4.83%), N (7.12%), O (4.07%)

Molar Mass: 393.3

Atom Count: 46

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 392.089954
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KBSKPGGABMWQOV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.57
Topological Polar Surface Area 15.71
Polarizability 38.18
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H22BrFN2O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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