
 6-fluoronorepinehprine

 23 23  0  0  0  0  0  0  0  0999 V2000
   -1.2028    0.4480   -0.1969 C   0  0  0  0  0
   -1.3066   -0.9475   -0.1764 C   0  0  0  0  0
   -0.1625   -1.7161   -0.0143 C   0  0  0  0  0
    1.0799   -1.1125    0.1240 C   0  0  0  0  0
    1.1806    0.2748    0.1066 C   0  0  0  0  0
    0.0461    1.0793   -0.0438 C   0  0  0  0  0
    0.1938    2.5820   -0.0837 C   0  0  0  0  0
    0.4053    3.0924   -1.5265 C   0  0  0  0  0
    0.5804    4.5519   -1.5647 N   0  0  0  0  0
   -0.9775    3.2068    0.4623 O   0  0  0  0  0
    2.3935    0.8347    0.2328 F   0  0  0  0  0
    2.1834   -1.9092    0.2712 O   0  0  0  0  0
   -0.2702   -3.0764    0.0021 O   0  0  0  0  0
   -2.1047    1.0424   -0.3376 H   0  0  0  0  0
   -2.2737   -1.4291   -0.2911 H   0  0  0  0  0
    1.0355    2.8910    0.5479 H   0  0  0  0  0
   -0.4701    2.8423   -2.1389 H   0  0  0  0  0
    1.2808    2.6170   -1.9830 H   0  0  0  0  0
   -0.1849    4.9615   -1.0220 H   0  0  0  0  0
    0.4558    4.8783   -2.5215 H   0  0  0  0  0
   -1.0586    2.8826    1.3759 H   0  0  0  0  0
    2.9518   -1.3097    0.3422 H   0  0  0  0  0
    0.6447   -3.4020    0.1197 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 13  1  0  0  0
  4  5  1  0  0  0
  4 12  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  7 10  1  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  8 18  1  0  0  0
  9 19  1  0  0  0
  9 20  1  0  0  0
 10 21  1  0  0  0
 12 22  1  0  0  0
 13 23  1  0  0  0
M  END

>  <Chemical Name>
6-fluoronorepinehprine

>  <PubChem CID>
10352428

>  <Formula>
C8H10FNO3

>  <Molecular Weight>
187.170000

>  <IUPAC Name>
4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorobenzene-1,2-diol

>  <XlogP>
-0.5

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC(=C(C(=C1C(CN)O)F)O)O

>  <Isomeric SMILES>
C1=CC(=C(C(=C1[C@H](CN)O)F)O)O

>  <InChI Std. ID>
InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2/t6-/m0/s1

>  <InChI Key>
FOTRTWXNJQSQJS-LURJTMIESA-N

