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Home > Fluorides > 102391-98-0
102391-98-0 | Methanone, (4-fluorophenyl)-1-piperazinyl-
CAS No: 102391-98-0 Catalog No: AG0007BX MDL No:MFCD01829194
Product Description
Catalog Number:
AG0007BX
Chemical Name:
Methanone, (4-fluorophenyl)-1-piperazinyl-
CAS Number:
102391-98-0
Molecular Formula:
C11H13FN2O
Molecular Weight:
208.2321
MDL Number:
MFCD01829194
IUPAC Name:
(4-fluorophenyl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C11H13FN2O/c12-10-3-1-9(2-4-10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChI Key:
OITKVXMAEXNRRK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)F)N1CCNCC1
Properties
Complexity:
221
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 |
|---|---|
| [New derivatives of eremomycin containing (15)n or f atoms for NMR study]. | Bioorganicheskaia khimiia 20080101 |
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