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1006-39-9 | Ethanone, 1-(2-bromo-4-fluorophenyl)-
CAS No: 1006-39-9 Catalog No: AG0002G1 MDL No:MFCD00077464
Product Description
Catalog Number:
AG0002G1
Chemical Name:
Ethanone, 1-(2-bromo-4-fluorophenyl)-
CAS Number:
1006-39-9
Molecular Formula:
C8H6BrFO
Molecular Weight:
217.0350
MDL Number:
MFCD00077464
IUPAC Name:
1-(2-bromo-4-fluorophenyl)ethanone
InChI:
InChI=1S/C8H6BrFO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,1H3
InChI Key:
RCXFSBRMWBFWMH-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Br)C(=O)C
Properties
Complexity:
160
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Photoinduced cleavage of DNA by bromofluoroacetophenone-pyrrolecarboxamide conjugates. | Bioorganic & medicinal chemistry letters 20030519 |
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