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  • Epoxiconazol
Name:Epoxiconazol
CAS No:106325-08-0
CAS No:135319-73-2
CAS No:133855-98-8

PRODUCT DESCRIPTION

【Name】
Epoxiconazol
【CAS Registry number】
106325-08-0;135319-73-2;133855-98-8
【Synonyms】
(2RS, 3SR)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-{(1H-1,2,4-triazol-1-yl)methyl}oxirane
(2RS,3RS)-1-(3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole
cis-1-((3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1H-1,2,4-triazole
Opus
EPOXICONAZOL PESTANAL, 250 MG
1H-1,2,4-Triazole, 1-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranylmethyl-
rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]- 1H-1,2,4-Triazole
Epoxiconazole (2RS,3SR)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-[(1H-1,2,4-triazol-1-yl)methyl]oxirane
(2RS, 3SR)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-[(1H-1, 2, 4-triazol-1-yl) methyl] oxirane
(2RS,3RS)-1-[3-(2-chlorophenyl)-2,3-epoxy-2(4-fluorophenyl)propyl]-1H-1,2,4-triazole
epoxiconazole
(2RS,3SR)-1-[3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl]-1H-1,2,4-triazole
【Molecular Formula】
C17H13C1FN3O (Products with the same molecular formula)
【Molecular Weight】
329.76
【Inchi】
InChI=1/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m0/s1
【Canonical SMILES】
C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl
【Isomers smiles】
C1=CC=C(C(=C1)[C@@H]2[C@@](O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl

Chemical and Physical Properties

【Density】
1.39 g/cm3
【Boiling Point】
463.1 °C at 760 mmHg
【Vapour】
0mmHg at 25°C
【Refractive Index】
1.659
【Flash Point】
233.9 °C
【Computed Properties】
Molecular Weight:329.756023 [g/mol]
Molecular Formula:C17H13ClFN3O
XLogP3-AA:3.2
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:4
Exact Mass:329.073118
MonoIsotopic Mass:329.073118
Topological Polar Surface Area:43.2
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
Feature 3D Acceptor Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:3
Effective Rotor Count:4.6
Conformer Sampling RMSD:0.8
CID Conformer Count:11

Safety and Handling

【Hazard Codes】
Xn:Harmful;N:Dangerousfortheenvironment;
【Risk Statements】
R40;R51/53;R62;R63
【Safety Statements 】
S36/37;S46;S61

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