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Chem 4 Bromophenylacetic Acid | Cheminformatics

4-Bromophenylacetic acid


  • SKU Code: CH141697
Chemical Name - 4-Bromophenylacetic acid
Mol Weight - 215.046
Smiles - OC(Cc(cc1)ccc1Br)=O
Property Name Property Value
Mol Name4-Bromophenylacetic acid
Molweight215.046
Monoisotopic Mass213.962941
Clogp1.868
Clogs-2.428
H Acceptors2
H Donors1
Total Surface Area129.75
Relative Psa0.20146
Polar Surface Area37.3
Druglikeness-3.5108
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.72727
Molecular Flexibility0.52381
Molecular Complexity0.63561
Fragments1
Non H Atoms11
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Symmetric Atoms2
Acidic Oxygens1
SmilesOC(Cc(cc1)ccc1Br)=O
InChIKeyInChI=1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIQOWSWEBLNVACCL-UHFFFAOYSA-N

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1 - 4-Bromophenylacetic acid
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