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133855-98-8

133855-98-8 structural image
Product Name: 1-[[(2S,3S)-3-(2-Chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
Formula: C17H13ClFN3O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index]
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
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
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.