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Home > Fluorides > 116109-25-2
116109-25-2 | 2,6-Piperazinedione, 4-[(2-fluorophenyl)methyl]-
CAS No: 116109-25-2 Catalog No: AG000BNJ MDL No:
Product Description
Catalog Number:
AG000BNJ
Chemical Name:
2,6-Piperazinedione, 4-[(2-fluorophenyl)methyl]-
CAS Number:
116109-25-2
Molecular Formula:
C11H11FN2O2
Molecular Weight:
222.2156
IUPAC Name:
4-[(2-fluorophenyl)methyl]piperazine-2,6-dione
InChI:
InChI=1S/C11H11FN2O2/c12-9-4-2-1-3-8(9)5-14-6-10(15)13-11(16)7-14/h1-4H,5-7H2,(H,13,15,16)
InChI Key:
QJLIASLJIGNVCP-UHFFFAOYSA-N
SMILES:
O=C1CN(CC(=O)N1)Cc1ccccc1F
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.219g/mol
Monoisotopic Mass:
222.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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