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2D Structure

4-Bromo Aniline


  • SKU Code: CH140926
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Chemical Name - 4-Bromo Aniline
Mol Weight - 172.025
Smiles - Nc(cc1)ccc1Br
Property Name Property Value
Mol Name4-Bromo Aniline
Molweight172.025
Monoisotopic Mass170.96836
Clogp1.7075
Clogs-2.526
H Acceptors1
H Donors1
Total Surface Area100.41
Relative Psa0.15208
Polar Surface Area26.02
Druglikeness-3.6984
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.75
Molecular Complexity0.59947
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Symmetric Atoms2
Amines1
Aromatic Amines1
SmilesNc(cc1)ccc1Br
InChIKeyInChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIWDFQBORIUYODSI-UHFFFAOYSA-N

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