4-(2H-1,3-benzodioxol-5-yl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,2,3-triazole-5-carbonitrile
Structure Info
- Chemspace ID
- CSSB00025734321 (In-Stock Building Blocks)
- MFCD
- MFCD00955426
- IUPAC Name
- 4-(2H-1,3-benzodioxol-5-yl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,2,3-triazole-5-carbonitrile
- Mol formula
- C16H7ClF3N5O2
- Mol weight
- 394 Da
- Catalog Number(s)
- 168966, AA00J015, AGN-PC-0WB1Z2, AGNPC-0WB1Z2, AI86405, B170215, BD00933532, CSC025734321, MS-7647, ST00J1KP, TX00J19L, Y3519102, ZQB41494
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.97
- Heavy atoms count
- 27
- Rotatable bond count
- 3
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 86
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 0
![Chemical structure of 4-(2H-1,3-benzodioxol-5-yl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,2,3-triazole-5-carbonitrile (C16H7ClF3N5O2) - CSSB00025734321](/st/structure/200/6db03a153f9c557cf78fe14b7af88b20/FC%2528F%2529%2528F%2529C1%253DCN%253DC%2528N2N%253DNC%2528%253DC2C%2523N%2529C2%253DCC%253DC3OCOC3%253DC2%2529C%2528Cl%2529%253DC1.png "C16H7ClF3N5O2")
- Zoom the structure
- CSSB00025734321
Items Overall 4 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 90 | 500 mg | 566.50 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 1 mg | 221.10 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 5 mg | 235.40 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 10 mg | 264.00 | |
Description: 4-(2H-1,3-benzodioxol-5-yl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,2,3-triazole-5-carbonitrile; CAS: 1024414-94-5 | ||||||
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