
 Dichloroisoproterenol

 30 30  0  0  0  0  0  0  0  0999 V2000
    2.2239    1.4815   -2.9924 C   0  0  0  0  0
    2.8265    0.7947   -1.7630 C   0  0  0  0  0
    3.3990   -0.5655   -2.1690 C   0  0  0  0  0
    3.8423    1.6909   -1.1863 N   0  0  0  0  0
    4.4166    1.1660    0.0699 C   0  0  0  0  0
    5.4379    2.1698    0.6601 C   0  0  0  0  0
    6.0931    1.6171    1.9084 C   0  0  0  0  0
    5.4959    1.8285    3.1614 C   0  0  0  0  0
    6.0591    1.2914    4.3251 C   0  0  0  0  0
    7.2303    0.5316    4.2465 C   0  0  0  0  0
    7.8320    0.3140    3.0048 C   0  0  0  0  0
    7.2662    0.8510    1.8454 C   0  0  0  0  0
    7.9770   -0.1690    5.6386 Cl  0  0  0  0  0
    5.2503    1.5972    5.8215 Cl  0  0  0  0  0
    6.4242    2.4677   -0.3309 O   0  0  0  0  0
    1.7593    2.4364   -2.7241 H   0  0  0  0  0
    1.4483    0.8545   -3.4443 H   0  0  0  0  0
    2.9852    1.6762   -3.7566 H   0  0  0  0  0
    2.0196    0.6397   -1.0370 H   0  0  0  0  0
    4.2916   -0.4529   -2.7954 H   0  0  0  0  0
    2.6619   -1.1448   -2.7373 H   0  0  0  0  0
    3.6679   -1.1643   -1.2936 H   0  0  0  0  0
    3.4021    2.5925   -0.9936 H   0  0  0  0  0
    4.9466    0.2292   -0.1429 H   0  0  0  0  0
    3.6250    0.9578    0.8010 H   0  0  0  0  0
    4.9399    3.1168    0.8977 H   0  0  0  0  0
    4.5822    2.4156    3.2332 H   0  0  0  0  0
    8.7434   -0.2735    2.9304 H   0  0  0  0  0
    7.7498    0.6718    0.8856 H   0  0  0  0  0
    5.9395    2.4323   -1.1810 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6 15  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 29  1  0  0  0
 15 30  1  0  0  0
M  END

>  <Chemical Name>
Dichloroisoproterenol

>  <PubChem CID>
5806

>  <Formula>
C11H15Cl2NO

>  <Molecular Weight>
248.147000

>  <IUPAC Name>
1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol

>  <XlogP>
3.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)NCC(C1=CC(=C(C=C1)Cl)Cl)O

>  <Isomeric SMILES>
CC(C)NCC(C1=CC(=C(C=C1)Cl)Cl)O

>  <InChI Std. ID>
InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3

>  <InChI Key>
VKMGSWIFEHZQRS-UHFFFAOYSA-N

