133855-98-8
Product Name:
1-[[(2S,3S)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
Formula:
C17H13ClFN3O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid; [Merck Index] |
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Vapor Pressure | 0.00000045 [mmHg] |
Ionization Efficiency | Positive |
Collision Cross Section | 174.17 Ų [M+H]+ |
Chemical Classes | Pesticides -> Fungicides |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Health Hazard GHS08 Environment GHS09 |
GHS Hazard Statements |
H351:Carcinogenicity H411:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P391:Collect spillage. Hazardous to the aquatic environment P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. |
COMPUTED DESCRIPTORS
Molecular Weight | 329.8 g/mol |
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XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 4 |
Exact Mass | 329.0731179 g/mol |
Monoisotopic Mass | 329.0731179 g/mol |
Topological Polar Surface Area | 43.2 Ų |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 421 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(2S,3R)-epoxiconazole is the (2S,3R)-stereoisomer of 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole. It is an enantiomer of a (2R,3S)-epoxiconazole.