Structure Info
- Chemspace ID
- CSCS00135234859 (Synthesis)
- IUPAC Name
- 3-bromo-4-methoxy-2-nitrobenzene-1-thiol
- Mol formula
- C7H6BrNO3S
- Mol weight
- 264 Da
- Catalog Number(s)
- BBV-148307241, CSC135234859, FCH19979960
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.62
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.14285714285714
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00135234859
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