
 1-(3-Bromobenzyl)-1H-imidazole

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.9193    1.2746   -0.0878 C   0  0  0  0  0
    0.4719    1.2400   -0.2046 C   0  0  0  0  0
    1.1707    0.0320   -0.0544 C   0  0  0  0  0
    0.4492   -1.1390    0.2249 C   0  0  0  0  0
   -0.9405   -1.0955    0.3396 C   0  0  0  0  0
   -1.6283    0.1054    0.1834 C   0  0  0  0  0
   -1.8989   -2.6828    0.7123 Br  0  0  0  0  0
    2.6741   -0.0038   -0.1638 C   0  0  0  0  0
    3.3061    0.2306    1.1209 N   0  0  0  0  0
    3.6698   -0.7202    2.0355 C   0  0  0  0  0
    4.2715   -0.0185    3.0538 C   0  0  0  0  0
    4.2953    1.3233    2.7737 N   0  0  0  0  0
    3.7080    1.4432    1.6045 C   0  0  0  0  0
   -1.4512    2.2164   -0.2037 H   0  0  0  0  0
    1.0052    2.1665   -0.4096 H   0  0  0  0  0
    0.9718   -2.0834    0.3571 H   0  0  0  0  0
   -2.7105    0.1422    0.2752 H   0  0  0  0  0
    3.0353    0.7566   -0.8663 H   0  0  0  0  0
    3.0180   -0.9750   -0.5391 H   0  0  0  0  0
    3.4751   -1.7740    1.8979 H   0  0  0  0  0
    4.6929   -0.4084    3.9718 H   0  0  0  0  0
    3.5522    2.3727    1.0728 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 17  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  8 19  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 20  1  0  0  0
 11 12  1  0  0  0
 11 21  1  0  0  0
 12 13  2  0  0  0
 13 22  1  0  0  0
M  END

>  <Chemical Name>
1-(3-Bromobenzyl)-1H-imidazole

>  <PubChem CID>
10220337

>  <Formula>
C10H9BrN2

>  <Molecular Weight>
237.100000

>  <IUPAC Name>
1-[(3-bromophenyl)methyl]imidazole

>  <XlogP>
2.300

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1=CC(=CC(=C1)Br)CN2C=CN=C2

>  <Isomeric SMILES>
C1=CC(=CC(=C1)Br)CN2C=CN=C2

>  <InChI Std. ID>
InChI=1S/C10H9BrN2/c11-10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7H2

>  <InChI Key>
BGYZLOIBJCHCTI-UHFFFAOYSA-N

