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Chem 5 Chloro 2 Methoxy Benzoic Acid Methyl Ester | Cheminformatics

5-Chloro 2-Methoxy Benzoic Acid Methyl Ester


  • SKU Code: CH137024
Chemical Name - 5-Chloro 2-Methoxy Benzoic Acid Methyl Ester
Mol Weight - 200.62
Smiles - COC(c(cc(cc1)Cl)c1OC)=O
Property Name Property Value
Mol Name5-Chloro 2-Methoxy Benzoic Acid Methyl Ester
Molweight200.62
Monoisotopic Mass200.024022
Clogp2.1086
Clogs-2.511
H Acceptors3
Total Surface Area150.95
Relative Psa0.21888
Polar Surface Area35.53
Druglikeness-3.7766
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.53846
Molecular Flexibility0.42359
Molecular Complexity0.72397
Fragments1
Non H Atoms13
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds3
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms4
SmilesCOC(c(cc(cc1)Cl)c1OC)=O
InChIKeyInChI=1S/C9H9ClO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3
InChIHPTHYBXMNNGQEF-UHFFFAOYSA-N

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