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Dichlorophenylphosphine |
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ID: API-41898 CAS:644-97-3 Supplier:APIchem SMILES:ClP(Cl)c1ccccc1 ChemMol.com FORMULA: C6H5Cl2P
MASS: 178.9837
EXACT MASS: 177.9505922
INTERATOMIC DISTANCES
Cl 1 Cl 2 P 3 C 4 C 5 C 6
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Cl 1 0.0000
Cl 2 1.7320 0.0000
P 3 1.0000 1.0000 0.0000
C 4 1.7320 1.7320 1.0000 0.0000
C 5 2.6457 2.0000 1.7320 1.0000 0.0000
C 6 2.0000 2.6457 1.7320 1.0000 1.7320 0.0000
C 7 3.4641 3.0000 2.6457 1.7320 1.0000 2.0000
C 8 3.0000 3.4641 2.6457 1.7320 2.0000 1.0000
C 9 3.6055 3.6055 3.0000 2.0000 1.7320 1.7320
H 10 2.8291 1.7732 1.8396 1.4157 0.6200 2.2900
H 11 1.7733 2.8292 1.8397 1.4158 2.2901 0.6201
H 12 4.0130 3.3533 3.1407 2.2900 1.4158 2.6199
H 13 3.3533 4.0130 3.1408 2.2901 2.6200 1.4158
H 14 4.2100 4.2100 3.6200 2.6200 2.2901 2.2901
C 7 C 8 C 9 H 10 H 11 H 12
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C 7 0.0000
C 8 1.7320 0.0000
C 9 1.0000 1.0000 0.0000
H 10 1.4158 2.6199 2.2900 0.0000
H 11 2.6200 1.4158 2.2901 2.8059 0.0000
H 12 0.6200 2.2900 1.4157 1.6200 3.2400 0.0000
H 13 2.2901 0.6201 1.4158 3.2400 1.6200 2.8059
H 14 1.4158 1.4158 0.6200 2.8059 2.8059 1.6199
H 13 H 14
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H 13 0.0000
H 14 1.6200 0.0000
ATOMIC CHARGES
Cl 1 -0.0723585562
Cl 2 -0.0723585562
P 3 0.1164955170
C 4 0.0058562256
C 5 -0.0519688592
C 6 -0.0519688592
C 7 -0.0610972191
C 8 -0.0610972191
C 9 -0.0617189600
H 10 0.0624510345
H 11 0.0624510345
H 12 0.0617778986
H 13 0.0617778986
H 14 0.0617586203
BOND ANGLES
6 4 5 Car Car Car 119.999
4 5 7 Car Car Car 120.001
4 5 10 Car Car HC 119.998
5 4 6 Car Car Car 119.999
4 6 8 Car Car Car 120.001
4 6 11 Car Car HC 120.002
10 5 7 HC Car Car 120.002
5 7 9 Car Car Car 120.001
5 7 12 Car Car HC 120.002
7 5 10 Car Car HC 120.002
11 6 8 HC Car Car 119.997
6 8 9 Car Car Car 120.001
6 8 13 Car Car HC 119.997
8 6 11 Car Car HC 119.997
12 7 9 HC Car Car 119.998
7 9 14 Car Car HC 120.001
9 7 12 Car Car HC 119.998
13 8 9 HC Car Car 120.002
8 9 14 Car Car HC 120.001
9 8 13 Car Car HC 120.002
TORSION ANGLES
1 3 4 5 179.974
1 3 4 6 0.026
2 3 4 5 0.026
2 3 4 6 179.974
3 4 5 7 179.974
3 4 5 10 0.026
6 4 5 7 0.026
6 4 5 10 179.974
3 4 6 8 179.974
3 4 6 11 0.026
5 4 6 8 0.026
5 4 6 11 179.974
4 5 7 9 0.026
4 5 7 12 179.974
10 5 7 9 179.974
10 5 7 12 0.026
4 6 8 9 0.026
4 6 8 13 179.974
11 6 8 9 179.974
11 6 8 13 0.026
5 7 9 8 0.026
5 7 9 14 179.974
12 7 9 8 179.974
12 7 9 14 0.026
6 8 9 7 0.026
6 8 9 14 179.974
13 8 9 7 179.974
13 8 9 14 0.026
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