
 Dibromosalicil

 28 29  0  0  0  0  0  0  0  0999 V2000
   -1.1887   -1.4862    1.6789 C   0  0  0  0  0
    0.0317   -2.1020    1.9584 C   0  0  0  0  0
    1.1783   -1.7376    1.2462 C   0  0  0  0  0
    1.1146   -0.7566    0.2476 C   0  0  0  0  0
   -0.1201   -0.1457   -0.0282 C   0  0  0  0  0
   -1.2589   -0.5112    0.6871 C   0  0  0  0  0
   -2.9115    0.3280    0.3163 Br  0  0  0  0  0
    2.2887   -0.2987   -0.5438 C   0  0  0  0  0
    2.1772    0.5560   -1.4194 O   0  0  0  0  0
    3.6542   -0.8929   -0.3214 C   0  0  0  0  0
    3.9825   -1.8428   -1.0284 O   0  0  0  0  0
    4.5826   -0.3213    0.6917 C   0  0  0  0  0
    4.2632    0.7589    1.5255 C   0  0  0  0  0
    5.1887    1.2331    2.4601 C   0  0  0  0  0
    6.4411    0.6283    2.5710 C   0  0  0  0  0
    6.7642   -0.4464    1.7466 C   0  0  0  0  0
    5.8473   -0.9216    0.8108 C   0  0  0  0  0
    8.4581   -1.2701    1.9050 Br  0  0  0  0  0
    3.0407    1.3617    1.4581 O   0  0  0  0  0
    2.3587   -2.3467    1.5587 O   0  0  0  0  0
   -2.0755   -1.7703    2.2401 H   0  0  0  0  0
    0.0719   -2.8552    2.7407 H   0  0  0  0  0
   -0.1861    0.6190   -0.8003 H   0  0  0  0  0
    4.9491    2.0657    3.1160 H   0  0  0  0  0
    7.1547    0.9993    3.3028 H   0  0  0  0  0
    6.1105   -1.7626    0.1714 H   0  0  0  0  0
    3.0457    2.1807    1.9829 H   0  0  0  0  0
    2.1931   -3.1142    2.1328 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 19  1  0  0  0
 14 15  2  0  0  0
 14 24  1  0  0  0
 15 16  1  0  0  0
 15 25  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 26  1  0  0  0
 19 27  1  0  0  0
 20 28  1  0  0  0
M  END

>  <Chemical Name>
Dibromosalicil

>  <PubChem CID>
10662

>  <Formula>
C14H8Br2O4

>  <Molecular Weight>
400.022000

>  <IUPAC Name>
1,2-bis(5-bromo-2-hydroxyphenyl)ethane-1,2-dione

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC(=C(C=C1Br)C(=O)C(=O)C2=C(C=CC(=C2)Br)O)O

>  <Isomeric SMILES>
C1=CC(=C(C=C1Br)C(=O)C(=O)C2=C(C=CC(=C2)Br)O)O

>  <InChI Std. ID>
InChI=1S/C14H8Br2O4/c15-7-1-3-11(17)9(5-7)13(19)14(20)10-6-8(16)2-4-12(10)18/h1-6,17-18H

>  <InChI Key>
AAOYLOCWJSLLJU-UHFFFAOYSA-N

