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CAS No.: | 64211-45-6 |
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Name: | Oxiconazole |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C18H13Cl4N3O |
Molecular Weight: | 429.133 |
Synonyms: | Ethanone,1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-, O-[(2,4-dichlorophenyl)methyl]oxime,(Z)-;Oxiconazole; |
EINECS: | 1533716-785-6 |
Density: | 1.42 g/cm3 |
Boiling Point: | 576.8 °C at 760 mmHg |
Flash Point: | 302.6 °C |
PSA: | 39.41000 |
LogP: | 6.11780 |
The Ethanone,1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-,O-[(2,4-dichlorophenyl)methyl]oxime, (1Z)-, with CAS registry number 64211-45-6, belongs to the following product category: Active Pharmaceutical Ingredients. It has the systematic name of (1Z)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone O-(2,4-dichlorobenzyl)oxime. And the chemical formula of this chemical is C18H13Cl4N3O.
Physical properties of Ethanone,1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-,O-[(2,4-dichlorophenyl)methyl]oxime, (1Z)-: (1)ACD/LogP: 5.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.08; (4)ACD/LogD (pH 7.4): 5.8; (5)ACD/BCF (pH 5.5): 2807.2; (6)ACD/BCF (pH 7.4): 14982.99; (7)ACD/KOC (pH 5.5): 6252.09; (8)ACD/KOC (pH 7.4): 33369.61; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 39.41 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 107.71 cm3; (15)Molar Volume: 300.7 cm3; (16)Polarizability: 42.69×10-24cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Enthalpy of Vaporization: 83.16 kJ/mol; (19)Vapour Pressure: 1.06E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccc(\C(=N\OCc1ccc(Cl)cc1Cl)Cn2ccnc2)c(Cl)c3
(2)InChI: InChI=1/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+
(3)InChIKey: QRJJEGAJXVEBNE-HKOYGPOVBR
(4)Std. InChI: InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/b24-18+
(5)Std. InChIKey: QRJJEGAJXVEBNE-HKOYGPOVSA-N