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Home > Fluorides > 251924-61-5
251924-61-5 | Ethanone, 1-[1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-
CAS No: 251924-61-5 Catalog No: AG002QTG MDL No:
Product Description
Catalog Number:
AG002QTG
Chemical Name:
Ethanone, 1-[1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-
CAS Number:
251924-61-5
Molecular Formula:
C13H12FNO
Molecular Weight:
217.2389
IUPAC Name:
1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]ethanone
InChI:
InChI=1S/C13H12FNO/c1-10(16)13-3-2-8-15(13)9-11-4-6-12(14)7-5-11/h2-8H,9H2,1H3
InChI Key:
ABYOKPGLFOGKEW-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Cn1cccc1C(=O)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.243g/mol
Monoisotopic Mass:
217.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Diketo acid inhibitor mechanism and HIV-1 integrase: implications for metal binding in the active site of phosphotransferase enzymes. | Proceedings of the National Academy of Sciences of the United States of America 20020514 |
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