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Home > Aldehydes > 159944-64-6
159944-64-6 | Benzaldehyde, 2-fluoro-6-[4-(phenylmethyl)-1-piperazinyl]-
CAS No: 159944-64-6 Catalog No: AG001RIS MDL No:MFCD11849905
Product Description
Catalog Number:
AG001RIS
Chemical Name:
Benzaldehyde, 2-fluoro-6-[4-(phenylmethyl)-1-piperazinyl]-
CAS Number:
159944-64-6
Molecular Formula:
C18H19FN2O
Molecular Weight:
298.3547
MDL Number:
MFCD11849905
IUPAC Name:
2-(4-benzylpiperazin-1-yl)-6-fluorobenzaldehyde
InChI:
InChI=1S/C18H19FN2O/c19-17-7-4-8-18(16(17)14-22)21-11-9-20(10-12-21)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChI Key:
JWQUOAVDCIQLCK-UHFFFAOYSA-N
SMILES:
O=Cc1c(F)cccc1N1CCN(CC1)Cc1ccccc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.361g/mol
Monoisotopic Mass:
298.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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