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1-Chloro-2-cyclopropylbenzene |
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ID: 6764 CAS:10292-67-8 Supplier:SYNCHEM OHG SMILES:c1ccc(c(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 1.4309 0.8255 0.0000
C 4 1.6520 1.4312 0.8271 0.0000
C 5 1.4273 1.6525 1.4341 0.8306 0.0000
C 6 0.8229 1.4305 1.6530 1.4327 0.8241 0.0000
Cl 7 2.4770 2.1854 1.4316 0.8250 1.4345 2.1864
C 8 2.1808 2.4775 2.1880 1.4340 0.8250 1.4283
C 9 2.9940 3.2182 2.7987 1.9792 1.5930 2.2519
C 10 2.7907 3.2186 3.0030 2.2601 1.5943 1.9743
Cl 7 C 8 C 9 C 10
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Cl 7 0.0000
C 8 1.6571 0.0000
C 9 1.8529 0.8236 0.0000
C 10 2.4092 0.8261 0.8250 0.0000
ATOMIC CHARGES
C 1 -0.0002694488
C 2 0.0008453989
C 3 0.0110753807
C 4 0.0536820036
C 5 -0.0119245281
C 6 -0.0034437002
Cl 7 -0.0825729437
C 8 0.0231823320
C 9 0.0047127529
C 10 0.0047127529
BOND ANGLES
8 5 6 C3 Car Car 120.020
5 6 1 Car Car Car 120.129
5 4 7 Car Car Cl 120.096
6 5 8 Car Car C3 120.020
5 8 10 Car C3 C3 149.845
7 4 5 Cl Car Car 120.096
4 5 6 Car Car Car 119.956
4 5 8 Car Car C3 120.024
TORSION ANGLES
1 2 3 4 0.026
8 5 6 1 179.974
4 5 6 1 0.026
5 6 1 2 0.026
6 1 2 3 0.026
2 3 4 7 179.974
2 3 4 5 0.026
6 5 8 9 179.974
6 5 8 10 0.026
4 5 8 9 0.026
4 5 8 10 179.974
10 9 8 5 179.974
10 9 8 10 0.026
8 10 9 8 0.026
5 8 10 9 179.974
9 8 10 9 0.026
7 4 5 6 179.974
7 4 5 8 0.026
3 4 5 6 0.026
3 4 5 8 179.974
CHIRAL ATOMS
C 8 is chiral: counterclockwise
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