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Chem 3 Chloroanisole Ncc | Cheminformatics
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3-Chloroanisole


  • SKU Code: CH142073
Chemical Name - 3-Chloroanisole
Mol Weight - 142.585
Smiles - COc1cccc(Cl)c1
InChI - YUKILTJWFRTXGB-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
Property Name Property Value
Mol Name3-Chloroanisole
Molweight142.585
Monoisotopic Mass142.018542
Clogp2.1956
Clogs-2.37
H Acceptors1
Total Surface Area110.94
Relative Psa0.090139
Polar Surface Area9.23
Druglikeness-1.8964
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.28257
Molecular Complexity0.67701
Fragments1
Non H Atoms9
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
SmilesCOc1cccc(Cl)c1
InChIKeyInChI=1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIYUKILTJWFRTXGB-UHFFFAOYSA-N

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