Sign In Join Free

Products Information

2-Amino-6-fluoro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt
2-Amino-6-fluoro-1,2,3,4-tetrahydro-naphthalen-1-ol 1HCl salt ID: B204027
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:c12c(cc(cc2)F)CCC(C1O)N	
FORMULA: C10H12FNO
MASS: 181.2068
EXACT MASS: 181.0902922
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5291     0.0000 
   C   3    0.5339     0.9204     0.0000 
   C   4    0.5303     0.9183     0.9208     0.0000 
   C   5    0.9208     1.0620     0.5303     1.4047     0.0000 
   C   6    0.9183     0.5303     1.4060     1.0625     1.5922     0.0000 
   C   7    0.9204     0.5339     1.0625     1.4060     0.9183     0.9208 
   C   8    1.0620     0.9208     0.9183     1.5922     0.5291     1.4047 
   C   9    1.0620     0.9208     1.5959     0.9204     1.9161     0.5339 
   O  10    0.9241     1.4073     0.5333     1.0641     0.9220     1.8424 
   C  11    0.9208     1.0620     1.4088     0.5339     1.8416     0.9204 
   N  12    1.4088     1.5959     0.9208     1.8416     0.5339     2.1261 
   F  13    1.5923     1.4047     2.1262     1.4060     2.4338     0.9209 

              C   7      C   8      C   9      O  10      C  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.5303     0.0000 
   C   9    1.4088     1.8416     0.0000 
   O  10    1.5958     1.4059     1.9183     0.0000 
   C  11    1.5959     1.9161     0.5291     1.5980     0.0000 
   N  12    1.4060     0.9204     2.4377     1.0641     2.3195     0.0000 
   F  13    1.8417     2.3154     0.5303     2.4369     0.9184     2.9598 

              F  13
              -----------
   F  13    0.0000 



ATOMIC CHARGES
   C   1    0.0053230833
   C   2   -0.0214622162
   C   3    0.1913465445
   C   4    0.0001997150
   C   5    0.1266322408
   C   6    0.0251407109
   C   7    0.0277671937
   C   8    0.0266470764
   C   9    0.1398123334
   O  10   -0.2167437223
   C  11    0.0293728433
   N  12   -0.1298532431
   F  13   -0.2041825596


BOND ANGLES
   2    1    3  Car  Car   C3    119.970
   2    1    4  Car  Car  Car    120.197
   3    1    4   C3  Car  Car    119.834
   1    2    6  Car  Car  Car    120.197
   1    2    7  Car  Car   C3    119.970
   6    2    7  Car  Car   C3    119.834
   1    3    5  Car   C3   C3    119.834
   1    3   10  Car   C3   O3    119.970
   5    3   10   C3   C3   O3    120.197
   1    4   11  Car  Car  Car    119.834
   3    5    8   C3   C3   C3    120.197
   3    5   12   C3   C3   N3    119.834
   8    5   12   C3   C3   N3    119.970
   2    6    9  Car  Car  Car    119.834
   2    7    8  Car   C3   C3    119.834
   5    8    7   C3   C3   C3    120.197
  11    9   13  Car  Car    F    120.191
   6    9   11  Car  Car  Car    119.970
   6    9   13  Car  Car    F    119.839
   4   11    9  Car  Car  Car    119.970


TORSION ANGLES
   6    2    1    3    179.974
   6    2    1    4      0.026
   7    2    1    3      0.026
   7    2    1    4    179.974
   5    3    1    2      0.026
   5    3    1    4    179.974
  10    3    1    2    179.974
  10    3    1    4      0.026
  11    4    1    2      0.026
  11    4    1    3    179.974
   8    5    3    1      0.026
   8    5    3   10    179.974
  12    5    3    1    179.974
  12    5    3   10      0.026
   9    6    2    1      0.026
   9    6    2    7    179.974
   8    7    2    1      0.026
   8    7    2    6    179.974
   7    8    5    3      0.026
   7    8    5   12    179.974
  13    9   11    4    179.974
   6    9   11    4      0.026
   9   11    4    1      0.026
   5    8    7    2      0.026
   2    6    9   11      0.026
   2    6    9   13    179.974


CHIRAL ATOMS
   2    6    9   13    179.974
   2    6    9   13    179.974