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5-(chloromethyl)furan-2-carbaldehyde
5-(chloromethyl)furan-2-carbaldehyde ID: AN-49563
CAS:1623-88-7
Supplier:AN PharmaTech Co Ltd

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SMILES:ClCc1oc(cc1)C=O	74191
FORMULA: C6H5ClO2
MASS: 144.5557
EXACT MASS: 143.9978071
INTERATOMIC DISTANCES

             Cl   1      O   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   O   2    2.6767     0.0000 
   O   3    5.0064     2.6767     0.0000 
   C   4    1.7320     1.0000     3.3317     0.0000 
   C   5    2.0886     1.6181     3.0608     1.0000     0.0000 
   C   6    3.3317     1.0000     1.7320     1.6180     1.6180     0.0000 
   C   7    3.0608     1.6181     2.0886     1.6180     1.0000     1.0000 
   C   8    0.9999     1.7820     4.3155     1.0000     1.7821     2.5876 
   C   9    4.3155     1.7820     0.9999     2.5876     2.5876     1.0000 
   H  10    1.9696     2.2159     3.5404     1.4537     0.6199     2.2159 
   H  11    3.5404     2.2159     1.9696     2.2159     1.4536     1.4537 
   H  12    1.0812     2.2510     4.8666     1.5967     2.3986     3.1346 
   H  13    1.5967     1.4934     4.1543     1.0812     2.0509     2.4337 
   H  14    4.5737     1.9172     1.4158     2.8491     3.0318     1.4158 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.5876     0.0000 
   C   9    1.7821     3.5202     0.0000 
   H  10    1.4536     1.9762     3.1609     0.0000 
   H  11    0.6199     3.1609     1.9762     1.7288     0.0000 
   H  12    3.2016     0.6199     4.0268     2.5514     3.7795     0.0000 
   H  13    2.6728     0.6200     3.2752     2.3868     3.2827     0.7970 
   H  14    2.3267     3.6992     0.6200     3.6317     2.5803     4.1437 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    3.3585     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1171682502
   O   2   -0.4558943313
   O   3   -0.2924496673
   C   4    0.1203759579
   C   5   -0.0188161284
   C   6    0.1671003738
   C   7   -0.0129596699
   C   8    0.0805497142
   C   9    0.1850736823
   H  10    0.0652337380
   H  11    0.0656270729
   H  12    0.0509596475
   H  13    0.0509596475
   H  14    0.1114082129


BOND ANGLES
   4    2    6  Car   O2  Car    107.997
   2    4    5   O2  Car  Car    108.003
   2    4    8   O2  Car   C3    126.000
   5    4    8  Car  Car   C3    125.997
   4    5    7  Car  Car  Car    107.998
   4    5   10  Car  Car   HC    125.999
   7    5   10  Car  Car   HC    126.003
   2    6    7   O2  Car  Car    108.003
   2    6    9   O2  Car   C2    126.000
   7    6    9  Car  Car   C2    125.997
   5    7    6  Car  Car  Car    107.998
   5    7   11  Car  Car   HC    126.003
   6    7   11  Car  Car   HC    125.999
   1    8    4   Cl   C3  Car    120.001
   1    8   12   Cl   C3   HC     80.003
   1    8   13   Cl   C3   HC    160.004
   4    8   12  Car   C3   HC    159.995
   4    8   13  Car   C3   HC     79.995
  12    8   13   HC   C3   HC     80.000
   3    9    6   O2   C2  Car    120.001
   3    9   14   O2   C2   HC    120.002
   6    9   14  Car   C2   HC    119.997


TORSION ANGLES
   6    2    4    5      0.026
   6    2    4    8    179.974
   4    2    6    7      0.026
   4    2    6    9    179.974
   2    4    5    7      0.026
   2    4    5   10    179.974
   8    4    5    7    179.974
   8    4    5   10      0.026
   2    4    8    1    179.974
   2    4    8   12      0.026
   2    4    8   13      0.026
   5    4    8    1      0.026
   5    4    8   12    179.974
   5    4    8   13    179.974
   4    5    7    6      0.026
   4    5    7   11    179.974
  10    5    7    6    179.974
  10    5    7   11      0.026
   2    6    7    5      0.026
   2    6    7   11    179.974
   9    6    7    5    179.974
   9    6    7   11      0.026
   2    6    9    3    179.974
   2    6    9   14      0.026
   7    6    9    3      0.026
   7    6    9   14    179.974