
 2-bromo-1-(4,5-dibromothiophen-2-yl)ethanone

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.7540   -0.3456    0.3231 C   0  0  0  0  0
    0.1715    0.5957   -0.1016 C   0  0  0  0  0
    1.6732   -0.1468   -0.4626 S   0  0  0  0  0
    1.0899   -1.6895   -0.0604 C   0  0  0  0  0
   -0.2178   -1.6606    0.3451 C   0  0  0  0  0
   -1.2822   -3.1224    0.8920 Br  0  0  0  0  0
    2.1679   -3.2202   -0.1763 Br  0  0  0  0  0
   -0.0637    2.0333   -0.2293 C   0  0  0  0  0
   -1.1550    2.5265    0.0728 O   0  0  0  0  0
    1.0340    2.9440   -0.7316 C   0  0  0  0  0
    0.9884    2.9270   -2.6708 Br  0  0  0  0  0
   -1.7695   -0.0829    0.6024 H   0  0  0  0  0
    2.0288    2.6595   -0.3863 H   0  0  0  0  0
    0.8359    3.9724   -0.4156 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  8  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 10 14  1  0  0  0
M  END

>  <Chemical Name>
2-bromo-1-(4,5-dibromothiophen-2-yl)ethanone

>  <PubChem CID>
10948459

>  <Formula>
C6H3Br3OS

>  <Molecular Weight>
362.861000

>  <IUPAC Name>
2-bromo-1-(4,5-dibromothiophen-2-yl)ethanone

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=C(SC(=C1Br)Br)C(=O)CBr

>  <Isomeric SMILES>
C1=C(SC(=C1Br)Br)C(=O)CBr

>  <InChI Std. ID>
InChI=1S/C6H3Br3OS/c7-2-4(10)5-1-3(8)6(9)11-5/h1H,2H2

>  <InChI Key>
MZNKXYOVIYRMGP-UHFFFAOYSA-N

