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Home > Fluorides > 354535-81-2
354535-81-2 | [4-(2-Fluoro-benzyl)-piperazin-1-yl]-(4-fluoro-phenyl)-methanone
CAS No: 354535-81-2 Catalog No: AG01F5WO MDL No:
Product Description
Catalog Number:
AG01F5WO
Chemical Name:
[4-(2-Fluoro-benzyl)-piperazin-1-yl]-(4-fluoro-phenyl)-methanone
CAS Number:
354535-81-2
Molecular Formula:
C18H18F2N2O
Molecular Weight:
316.3451
IUPAC Name:
(4-fluorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
InChI:
InChI=1S/C18H18F2N2O/c19-16-7-5-14(6-8-16)18(23)22-11-9-21(10-12-22)13-15-3-1-2-4-17(15)20/h1-8H,9-13H2
InChI Key:
WISMGBFTJZVIFK-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)N1CCN(CC1)Cc1ccccc1F
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.139g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.352g/mol
Monoisotopic Mass:
316.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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