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1-Chloro-3-cyclopropylbenzene |
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ID: 6765 CAS:19714-74-0 Supplier:SYNCHEM OHG SMILES:c1cc(cc(c1)C1CC1)Cl FORMULA: C9H9Cl
MASS: 152.6208
EXACT MASS: 152.0392780
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 C 6
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C 1 0.0000
C 2 0.8273 0.0000
C 3 1.4308 0.8255 0.0000
C 4 1.6520 1.4313 0.8272 0.0000
C 5 1.4272 1.6525 1.4341 0.8306 0.0000
C 6 0.8228 1.4305 1.6530 1.4328 0.8241 0.0000
C 7 2.1807 2.4775 2.1880 1.4339 0.8250 1.4283
C 8 2.9940 3.2183 2.7988 1.9792 1.5931 2.2520
C 9 2.7907 3.2187 3.0030 2.2601 1.5943 1.9744
Cl 10 2.1849 1.4294 0.8250 1.4308 2.1886 2.4780
C 7 C 8 C 9 Cl 10
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C 7 0.0000
C 8 0.8237 0.0000
C 9 0.8262 0.8250 0.0000
Cl 10 2.8647 3.3557 3.6908 0.0000
ATOMIC CHARGES
C 1 0.0005428557
C 2 0.0113739252
C 3 0.0573584048
C 4 0.0071184871
C 5 -0.0216656088
C 6 -0.0042235077
C 7 0.0223794993
C 8 0.0046853082
C 9 0.0046853082
Cl 10 -0.0822546718
BOND ANGLES
7 5 6 C3 Car Car 120.020
5 6 1 Car Car Car 120.126
6 5 7 Car Car C3 120.020
5 7 9 Car C3 C3 149.851
10 3 4 Cl Car Car 119.992
3 4 5 Car Car Car 119.778
4 3 10 Car Car Cl 119.992
TORSION ANGLES
1 2 3 4 0.026
1 2 3 10 179.974
7 5 6 1 179.974
4 5 6 1 0.026
5 6 1 2 0.026
6 1 2 3 0.026
6 5 7 8 179.974
6 5 7 9 0.026
4 5 7 8 0.026
4 5 7 9 179.974
9 8 7 5 179.974
9 8 7 9 0.026
7 9 8 7 0.026
5 7 9 8 179.974
8 7 9 8 0.026
2 3 4 5 0.026
10 3 4 5 179.974
3 4 5 6 0.026
3 4 5 7 179.974
CHIRAL ATOMS
C 7 is chiral: counterclockwise
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