
 CYM50199

 32 33  0  0  0  0  0  0  0  0999 V2000
    1.3868    1.3254   -0.3277 C   0  0  0  0  0
    2.8443    1.0392   -0.1196 C   0  0  0  0  0
    3.7202    1.6758   -0.9269 N   0  0  0  0  0
    5.0419    1.4156   -0.7560 C   0  0  0  0  0
    5.5388    0.5125    0.1881 C   0  0  0  0  0
    4.6129   -0.1296    1.0074 C   0  0  0  0  0
    3.2511    0.1272    0.8482 C   0  0  0  0  0
    6.8910    0.3603    0.3250 O   0  0  0  0  0
    7.3391   -0.9690    0.6179 C   0  0  0  0  0
    8.8677   -0.9864    0.5639 C   0  0  0  0  0
    9.2916   -0.8738   -0.7996 O   0  0  0  0  0
   10.5605   -0.3892   -0.9879 C   0  0  0  0  0
   10.8108    0.3467   -2.1567 C   0  0  0  0  0
   12.0789    0.8760   -2.4077 C   0  0  0  0  0
   13.1074    0.6508   -1.4980 C   0  0  0  0  0
   12.8829   -0.1053   -0.3492 C   0  0  0  0  0
   11.6122   -0.6306   -0.0969 C   0  0  0  0  0
   14.6717    1.3022   -1.7959 Cl  0  0  0  0  0
    9.5665    0.6380   -3.3198 Cl  0  0  0  0  0
    6.2328    2.3555   -1.9080 Br  0  0  0  0  0
    1.2527    2.2800   -0.8447 H   0  0  0  0  0
    0.8639    1.3884    0.6315 H   0  0  0  0  0
    0.9348    0.5337   -0.9309 H   0  0  0  0  0
    4.9198   -0.8082    1.7941 H   0  0  0  0  0
    2.5234   -0.3663    1.4860 H   0  0  0  0  0
    6.9254   -1.6720   -0.1150 H   0  0  0  0  0
    7.0355   -1.2492    1.6317 H   0  0  0  0  0
    9.2315   -1.9390    0.9655 H   0  0  0  0  0
    9.2535   -0.1512    1.1623 H   0  0  0  0  0
   12.2602    1.4590   -3.3063 H   0  0  0  0  0
   13.6926   -0.2928    0.3520 H   0  0  0  0  0
   11.4720   -1.2346    0.7943 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 24  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 12  1  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 30  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
CYM50199

>  <PubChem CID>
44620895

>  <Formula>
C14H12BrCl2NO2

>  <Molecular Weight>
377.059000

>  <IUPAC Name>
2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC(=C(C=C1)OCCOC2=C(C=C(C=C2)Cl)Cl)Br

>  <Isomeric SMILES>
CC1=NC(=C(C=C1)OCCOC2=C(C=C(C=C2)Cl)Cl)Br

>  <InChI Std. ID>
InChI=1S/C14H12BrCl2NO2/c1-9-2-4-13(14(15)18-9)20-7-6-19-12-5-3-10(16)8-11(12)17/h2-5,8H,6-7H2,1H3

>  <InChI Key>
AGOUWTBVEAKQIJ-UHFFFAOYSA-N

