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Home > Fluorides > 139516-64-6
139516-64-6 | Methanone, (2-fluorophenyl)-1-piperazinyl-
CAS No: 139516-64-6 Catalog No: AG001B60 MDL No:MFCD14583048
Product Description
Catalog Number:
AG001B60
Chemical Name:
Methanone, (2-fluorophenyl)-1-piperazinyl-
CAS Number:
139516-64-6
Molecular Formula:
C11H13FN2O
Molecular Weight:
208.2321
MDL Number:
MFCD14583048
IUPAC Name:
(2-fluorophenyl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C11H13FN2O/c12-10-4-2-1-3-9(10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChI Key:
YUOYYPWFXYRVHK-UHFFFAOYSA-N
SMILES:
Fc1ccccc1C(=O)N1CCNCC1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.236g/mol
Monoisotopic Mass:
208.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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