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231297-62-4 | Ethanone, 2-bromo-1-(4-chloro-3-fluorophenyl)-
CAS No: 231297-62-4 Catalog No: AG002M9M MDL No:MFCD13194237
Product Description
Catalog Number:
AG002M9M
Chemical Name:
Ethanone, 2-bromo-1-(4-chloro-3-fluorophenyl)-
CAS Number:
231297-62-4
Molecular Formula:
C8H5BrClFO
Molecular Weight:
251.4801
MDL Number:
MFCD13194237
IUPAC Name:
2-bromo-1-(4-chloro-3-fluorophenyl)ethanone
InChI:
InChI=1S/C8H5BrClFO/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2
InChI Key:
CZERMIWLAGUTQP-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c(c1)F)Cl
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.92g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.479g/mol
Monoisotopic Mass:
249.92g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| 1-(4-Chloro-3-fluoro-phen-yl)-2-[(3-phenyl-isoquinolin-1-yl)sulfan-yl]ethanone. | Acta crystallographica. Section E, Structure reports online 20090201 |
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