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3-[4-(4-fluorophenyl)piperazin-1-yl]propanoic acid

3-[4-(4-fluorophenyl)piperazin-1-yl]propanoic acid

Formula: C13H17FN2O2

SMILES: OC(=O)CCN1CCN(CC1)C1=CC=C(F)C=C1

IUPAC: 3-[4-(4-fluorophenyl)piperazin-1-yl]propanoic acid

InChI: InChI=1S/C13H17FN2O2/c14-11-1-3-12(4-2-11)16-9-7-15(8-10-16)6-5-13(17)18/h1-4H,5-10H2,(H,17,18)

Composition: C (61.89%), H (6.79%), F (7.53%), N (11.10%), O (12.68%)

Molar Mass: 252.289

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 252.127405958
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey OJEVCLMHRBHIKC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.54
Topological Polar Surface Area 43.78
Polarizability 25.37
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H17FN2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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