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403-29-2 | 2-Bromo-1-(4-fluorophenyl)ethanone
CAS No: 403-29-2 Catalog No: AG003GO6 MDL No:MFCD00040830
Product Description
Catalog Number:
AG003GO6
Chemical Name:
2-Bromo-1-(4-fluorophenyl)ethanone
CAS Number:
403-29-2
Molecular Formula:
C8H6BrFO
Molecular Weight:
217.0350
MDL Number:
MFCD00040830
IUPAC Name:
2-bromo-1-(4-fluorophenyl)ethanone
InChI:
InChI=1S/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChI Key:
ZJFWCELATJMDNO-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)F
EC Number:
206-955-1
NSC Number:
88343
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.959g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.037g/mol
Monoisotopic Mass:
215.959g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Imidazolopiperazines: lead optimization of the second-generation antimalarial agents. | Journal of medicinal chemistry 20120510 |
| 2-(4-Fluoro-phen-yl)-2-oxoethyl 2-methoxy-benzoate. | Acta crystallographica. Section E, Structure reports online 20120201 |
| 2-(4-Fluoro-phen-yl)-2-oxoethyl 4-meth-oxy-benzoate. | Acta crystallographica. Section E, Structure reports online 20111201 |
| 2-(4-Fluoro-phen-yl)-2-oxoethyl 3-(trifluoro-meth-yl)benzoate. | Acta crystallographica. Section E, Structure reports online 20111101 |
| Di-μ-iodido-bis-{[(4-fluoro-benzoyl-methyl-ene)triphenyl-λ-phospho-rane]iodido-mercury(II)}. | Acta crystallographica. Section E, Structure reports online 20080501 |
| alpha-bromoacetophenone derivatives as neutral protein tyrosine phosphatase inhibitors: structure-Activity relationship. | Bioorganic & medicinal chemistry letters 20021104 |
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