1-[[(2S,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Basic information
- CAS
116498-46-5- Standard SMILES
CCC[C@H]1CO[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1- InChIKey
STJLVHWMYQXCPB-SWLSCSKDSA-N- Molecular formula
- C15H17Cl2N3O2
- Average molar mass
- 342.2 g/mol
- Monoisotopic mass
- 341.0697822
Names & identifiers
- Preferred name
- 1-[[(2S,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
- IUPAC
- 1-[[(2S,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Names & synonyms
116498-46-51-{[(2S,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole1-[[(2S,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole(2S,4S)-PropiconazoleSCHEMBL9321555SCHEMBL30182039DTXSID601033476(2S,4S)-2-(2,4-Dichlorophenyl)-4-propyl-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolaneEN300-310898
Database identifiers
- CAS
116498-46-5- PubChem CID
- 679164
- DTXSID
DTXSID601033476- Nikkaji
- J668.134D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…