
 1-(5-bromothiophen-2-yl)-2-chloroethanone

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.9618   -0.0910    0.0065 C   0  0  0  0  0
   -0.0829    0.9805    0.0576 C   0  0  0  0  0
    1.5405    0.4317    0.0995 S   0  0  0  0  0
    1.0629   -1.1905    0.0487 C   0  0  0  0  0
   -0.2969   -1.3535    0.0020 C   0  0  0  0  0
    2.2769   -2.6164    0.0593 Br  0  0  0  0  0
   -0.4499    2.3951    0.0846 C   0  0  0  0  0
   -1.6362    2.7448    0.0991 O   0  0  0  0  0
    0.6274    3.4602    0.1028 C   0  0  0  0  0
    1.2266    3.7322   -1.5441 Cl  0  0  0  0  0
   -2.0395    0.0330   -0.0262 H   0  0  0  0  0
   -0.7988   -2.3129   -0.0343 H   0  0  0  0  0
    1.4550    3.2015    0.7675 H   0  0  0  0  0
    0.1957    4.3988    0.4641 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1 11  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  5 12  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
  9 14  1  0  0  0
M  END

>  <Chemical Name>
1-(5-bromothiophen-2-yl)-2-chloroethanone

>  <PubChem CID>
2757188

>  <Formula>
C6H4BrClOS

>  <Molecular Weight>
239.511000

>  <IUPAC Name>
1-(5-bromothiophen-2-yl)-2-chloroethanone

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C6H4BrClOS/c7-6-2-1-5(10-6)4(9)3-8/h1-2H,3H2

>  <InChI Key>
LLKNSKSZYVBKOO-UHFFFAOYSA-N

