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2-Amino-4-fluorobenzonitrile |
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ID: API-31248 CAS:80517-22-2 Supplier:APIchem SMILES:N#Cc1c(cc(cc1)F)N ChemMol.com FORMULA: C7H5FN2
MASS: 136.1264
EXACT MASS: 136.0436764
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.8250 0.0000
C 3 1.6501 0.8251 0.0000
C 4 2.1829 1.4290 0.8250 0.0000
C 5 2.9747 2.1829 1.4290 0.8250 0.0000
C 6 3.3002 2.4752 1.6501 1.4290 0.8250 0.0000
C 7 2.9747 2.1829 1.4290 1.6499 1.4289 0.8250
C 8 2.1828 1.4290 0.8249 1.4288 1.6500 1.4290
F 9 4.1253 3.3003 2.4752 2.1828 1.4290 0.8251
N 10 2.1828 1.6500 1.4290 0.8251 1.4290 2.1828
C 7 C 8 F 9 N 10
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C 7 0.0000
C 8 0.8251 0.0000
F 9 1.4291 2.1830 0.0000
N 10 2.4750 2.1827 2.8580 0.0000
ATOMIC CHARGES
N 1 -0.1907876514
C 2 0.1017800282
C 3 0.0852732414
C 4 0.1008882677
C 5 0.0483618575
C 6 0.1415298030
C 7 0.0304138603
C 8 0.0139461769
F 9 -0.2041262384
N 10 -0.1272793452
BOND ANGLES
10 4 5 Npl Car Car 119.999
4 5 6 Car Car Car 119.999
9 6 7 F Car Car 120.012
6 7 8 Car Car Car 120.002
7 6 9 Car Car F 120.012
5 4 10 Car Car Npl 119.999
TORSION ANGLES
1 2 3 4 179.974
1 2 3 8 0.026
2 3 4 5 179.974
2 3 4 10 0.026
8 3 4 5 0.026
8 3 4 10 179.974
3 4 5 6 0.026
10 4 5 6 179.974
4 5 6 7 0.026
4 5 6 9 179.974
5 6 7 8 0.026
9 6 7 8 179.974
6 7 8 3 0.026
7 8 3 2 179.974
7 8 3 4 0.026
COMMENTS
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