Chem 4 Bromobenzaldehyde | Cheminformatics
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2D Structure

4-Bromobenzaldehyde


  • SKU Code: CH137924
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Chemical Name - 4-Bromobenzaldehyde
Mol Weight - 185.02
Smiles - O=Cc(cc1)ccc1Br
Property Name Property Value
Mol Name4-Bromobenzaldehyde
Molweight185.02
Monoisotopic Mass183.952376
Clogp2.3181
Clogs-2.774
H Acceptors1
Total Surface Area111.43
Relative Psa0.11702
Polar Surface Area17.07
Druglikeness-6.015
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.77778
Molecular Flexibility0.33178
Molecular Complexity0.65976
Fragments1
Non H Atoms9
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Symmetric Atoms2
SmilesO=Cc(cc1)ccc1Br
InChIKeyInChI=1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIZRYZBQLXDKPBDU-UHFFFAOYSA-N

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