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benzo[d]oxazol-4-amine
benzo[d]oxazol-4-amine
ID: Cs00324
CAS:163808-09-1
Supplier:Clousem

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SMILES:c1ccc2c(c1N)nco2	
FORMULA: C7H6N2O
MASS: 134.1353
EXACT MASS: 134.0480128
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   O   7    4.5468     4.1134     2.7827     1.5230     2.4643     3.9051 
   C   8    5.0395     5.0395     3.9667     2.4643     2.4643     3.9667 
   N   9    4.1134     4.5468     3.9051     2.4643     1.5231     2.7827 
   N  10    2.6380     4.0296     4.5691     4.0296     2.6380     1.5231 

              O   7      C   8      N   9      N  10
              --------------------------------------------
   O   7    0.0000 
   C   8    1.5230     0.0000 
   N   9    2.4643     1.5231     0.0000 
   N  10    5.0953     4.7638     3.3090     0.0000 



ATOMIC CHARGES
   C   1    0.0197988266
   C   2    0.0046180407
   C   3    0.0392142576
   C   4    0.1662214613
   C   5    0.1356246746
   C   6    0.1097412819
   O   7   -0.4311221254
   C   8    0.2851416636
   N   9   -0.2028652796
   N  10   -0.1263728012


BOND ANGLES
   2    1    6  Car  Car  Car    120.001
   1    2    3  Car  Car  Car    120.001
   2    3    4  Car  Car  Car    120.000
   3    4    5  Car  Car  Car    119.999
   3    4    7  Car  Car   O2    132.002
   5    4    7  Car  Car   O2    107.998
   4    5    6  Car  Car  Car    119.999
   4    5    9  Car  Car  Nar    108.002
   6    5    9  Car  Car  Nar    131.999
   1    6    5  Car  Car  Car    120.000
   5    6   10  Car  Car  Npl    119.999
   1    6   10  Car  Car  Npl    120.001
   4    7    8  Car   O2  Car    108.002
   7    8    9   O2  Car  Nar    108.001
   5    9    8  Car  Nar  Car    107.997


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