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4,5-Dibromo-2-furancarboxylic acid
4,5-Dibromo-2-furancarboxylic acid ID: CHH12008
CAS:2434-03-9
Supplier:ChemiK Co.,Ltd.

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SMILES:o1c(cc(c1Br)Br)C(=O)O	
FORMULA: C5H2Br2O3
MASS: 269.8756
EXACT MASS: 267.8370679
INTERATOMIC DISTANCES

              O   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    0.8938     0.0000 
   C   3    1.4461     0.8937     0.0000 
   C   4    1.4461     1.4461     0.8937     0.0000 
   C   5    0.8937     1.4461     1.4461     0.8937     0.0000 
   C   6    1.5927     0.8938     1.5927     2.3127     2.3127     0.0000 
   O   7    1.8667     1.5481     2.3923     2.9778     2.7356     0.8938 
   O   8    2.3923     1.5481     1.8667     2.7356     2.9778     0.8938 
  Br   9    1.5927     2.3127     2.3126     1.5926     0.8938     3.1462 
  Br  10    2.3127     2.3127     1.5927     0.8938     1.5927     3.1462 

              O   7      O   8     Br   9     Br  10
              --------------------------------------------
   O   7    0.0000 
   O   8    1.5481     0.0000 
  Br   9    3.4448     3.8570     0.0000 
  Br  10    3.8571     3.4448     1.9444     0.0000 



ATOMIC CHARGES
   O   1   -0.4397182965
   C   2    0.2258228592
   C   3    0.0546730103
   C   4    0.0787611565
   C   5    0.1854285101
   C   6    0.4216774003
   O   7   -0.2371038990
   O   8   -0.2371038990
  Br   9   -0.0072641321
  Br  10   -0.0451727098


BOND ANGLES
   2    1    5  Car   O2  Car    107.996
   1    2    3   O2  Car  Car    108.003
   1    2    6   O2  Car  Cac    125.997
   3    2    6  Car  Car  Cac    126.001
   2    3    4  Car  Car  Car    107.999
   3    4    5  Car  Car  Car    108.001
   3    4   10  Car  Car   Br    125.997
   5    4   10  Car  Car   Br    126.002
   1    5    4   O2  Car  Car    108.001
   4    5    9  Car  Car   Br    125.997
   1    5    9   O2  Car   Br    126.002
   7    6    8 O.co2  Cac O.co2    120.000
   2    6    7  Car  Cac O.co2    119.999
   2    6    8  Car  Cac O.co2    120.002


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