Basic information
- CAS
112721-87-6- Standard SMILES
CCC[C@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1- InChIKey
STJLVHWMYQXCPB-WFASDCNBSA-N- Molecular formula
- C15H17Cl2N3O2
- Average molar mass
- 342.2 g/mol
- Monoisotopic mass
- 341.0697822
Names & identifiers
- Preferred name
- (2R,4S)-Propiconazole
- IUPAC
- 1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Names & synonyms
(2R,4S)-PropiconazoleDTXSID901044167116498-44-3RefChem:1049903DTXCID401475969cis-propiconazoleSCHEMBL5598958DTXSID1010177881-{[(2R,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole1H-1,2,4-Triazole, 1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]
Database identifiers
- CAS
112721-87-6、116498-44-3- PubChem CID
- 679162
- DTXSID
DTXSID101017788- Nikkaji
- J668.135B
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
Experimental & physicochemical properties
PesticidesPesticide
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
cis-Propiconazole
79846
Pesticide
600
Data are for Propiconazole, CASRN 60207901
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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