
 2-Chloro-1-(3,4-dibromo-2-thienyl)-1-ethanone

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.7434    0.1250    0.1261 C   0  0  0  0  0
   -1.0900    1.3047   -0.1289 C   0  0  0  0  0
    0.3200    1.1439   -0.1963 C   0  0  0  0  0
    0.7193   -0.1662    0.0141 C   0  0  0  0  0
   -0.6504   -1.1749    0.2808 S   0  0  0  0  0
    2.0708   -0.7302   -0.0071 C   0  0  0  0  0
    3.0048   -0.1779   -0.5971 O   0  0  0  0  0
    2.3468   -2.0466    0.6966 C   0  0  0  0  0
    2.2528   -1.8239    2.4543 Cl  0  0  0  0  0
    1.4941    2.6047   -0.5104 Br  0  0  0  0  0
   -2.0132    2.9412   -0.3568 Br  0  0  0  0  0
   -2.8078   -0.0404    0.2286 H   0  0  0  0  0
    3.3636   -2.3745    0.4586 H   0  0  0  0  0
    1.6607   -2.8348    0.3776 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  2  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 14  1  0  0  0
M  END

>  <Chemical Name>
2-Chloro-1-(3,4-dibromo-2-thienyl)-1-ethanone

>  <PubChem CID>
2764204

>  <Formula>
C6H3Br2ClOS

>  <Molecular Weight>
318.407000

>  <IUPAC Name>
2-chloro-1-(3,4-dibromothiophen-2-yl)ethanone

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=C(C(=C(S1)C(=O)CCl)Br)Br

>  <Isomeric SMILES>
C1=C(C(=C(S1)C(=O)CCl)Br)Br

>  <InChI Std. ID>
InChI=1S/C6H3Br2ClOS/c7-3-2-11-6(5(3)8)4(10)1-9/h2H,1H2

>  <InChI Key>
DVHYHNZCCIEQQA-UHFFFAOYSA-N

