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4-Chloro-3-fluoropyridine HCl |
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ID: B184551 CAS:119229-74-2 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:c1(c(Cl)ccnc1)F.Cl FORMULA: C5H4Cl2FN
MASS: 167.9964
EXACT MASS: 166.9704827
INTERATOMIC DISTANCES
C 1 C 2 N 3 F 4 Cl 5 C 6
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C 1 0.0000
C 2 0.7411 0.0000
N 3 1.2879 1.4875 0.0000
F 4 0.7468 1.2875 1.9705 0.0000
Cl 5 1.2885 0.7417 2.2292 1.4910 0.0000
C 6 1.2875 0.7447 1.2900 1.9693 1.2822 0.0000
C 7 0.7417 1.2843 0.7432 1.2900 1.9648 1.4859
Cl 8 2.6508 3.3438 3.3743 2.1003 3.5759 3.9326
C 9 1.4859 1.2864 0.7468 2.2326 1.9607 0.7417
H 10 1.9119 2.6177 2.6565 1.4153 2.9062 3.1895
C 7 Cl 8 C 9 H 10
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C 7 0.0000
Cl 8 2.6694 0.0000
C 9 1.2875 3.9451 0.0000
H 10 1.9375 0.7458 3.2050 0.0000
ATOMIC CHARGES
C 1 0.1696578566
C 2 0.0881496433
N 3 -0.2399077621
F 4 -0.2016329907
Cl 5 -0.0797979309
C 6 0.0343411732
C 7 0.1292793018
Cl 8 -0.1453996612
C 9 0.0999107088
H 10 0.1453996612
BOND ANGLES
9 6 2 Car Car Car 119.863
6 2 1 Car Car Car 120.116
2 6 9 Car Car Car 119.863
6 9 3 Car Car Nar 120.143
TORSION ANGLES
5 2 1 4 0.026
5 2 1 7 179.974
6 2 1 4 179.974
6 2 1 7 0.026
9 3 7 1 0.026
9 6 2 1 0.026
9 6 2 5 179.974
3 7 1 2 0.026
3 7 1 4 179.974
6 9 3 7 0.026
2 6 9 3 0.026
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