885276-80-2
[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-FURAN-2-YL-ACETIC ACID
Name[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-FURAN-2-YL-ACETIC ACID
1Identification
【Name】
[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-FURAN-2-YL-ACETIC ACID
【CAS】
【MDL】
MFCD04115200
【English Synonyms】
【Formula】
C16 H17 F N2 O3
【MolWeight】
304.319
【Inchi】
InChI=1S/C16H17FN2O3/c17-12-3-5-13(6-4-12)18-7-9-19(10-8-18)15(16(20)21)14-2-1-11-22-14/h1-6,11,15H,7-10H2,(H,20,21)
【InChIKey】
InChIKey=YYJYUBBJEDGVJL-UHFFFAOYSA-N
【SMILES】
c1cc(oc1)C(C(=O)O)N2CCN(CC2)c3ccc(cc3)F
【MOL File】
[4-(4-FLUORO-PHENYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-FURAN-2-YL-ACETIC ACID.cml