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Methyl (S)-(+)-2-Chloropropionate
Methyl (S)-(+)-2-Chloropropionate
ID: BP-11604
CAS:73246-45-4
Supplier:BroadPharm

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SMILES:C(=O)([C@H](C)Cl)OC	
FORMULA: C4H7ClO2
MASS: 122.5502
EXACT MASS: 122.0134571
INTERATOMIC DISTANCES

              C   1      C   2      C   3     Cl   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4172     0.0000 
   C   3    2.4669     1.4422     0.0000 
  Cl   4    2.4828     1.4284     2.4767     0.0000 
   O   5    1.4284     2.4828     2.8685     3.7948     0.0000 
   C   6    2.4869     3.7915     4.3036     4.9696     1.4351     0.0000 
   O   7    1.4422     2.4669     3.7846     2.8683     2.4767     2.8630 

              O   7
              -----------
   O   7    0.0000 



ATOMIC CHARGES
   C   1    0.3320282475
   C   2    0.1782119530
   C   3    0.0294733671
  Cl   4   -0.1030548676
   O   5   -0.4435576214
   C   6    0.2556401780
   O   7   -0.2487412566


BOND ANGLES
   2    1    5   C3   C2   O3    121.499
   2    1    7   C3   C2   O2    119.243
   5    1    7   O3   C2   O2    119.258
   1    2    3   C2   C3   C3    119.247
   1    2    4   C2   C3   Cl    121.496
   3    2    4   C3   C3   Cl    119.257
   1    5    6   C2   O3   C3    120.560


TORSION ANGLES
   5    1    2    3      0.026
   5    1    2    4    179.974
   7    1    2    3    179.974
   7    1    2    4      0.026
   2    1    5    6    179.974
   7    1    5    6      0.026


CHIRAL ATOMS
   7    1    5    6      0.026