3-(2-chloro-4-nitrophenyl)-5-[(3-chloropropyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
Structure Info
- Chemspace ID
- CSSB00020653914 (In-Stock Building Blocks)
- MFCD
- MFCD15525334
- IUPAC Name
- 3-(2-chloro-4-nitrophenyl)-5-[(3-chloropropyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
- Mol formula
- C12H12Cl2N4O2S
- Mol weight
- 347 Da
- Catalog Number(s)
- CSC020653914, SC-64450
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.62
- Heavy atoms count
- 21
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 74
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB00020653914
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