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CAS No.: | 799247-52-2 |
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Name: | Methyl [[2-chloro-5-[(1E)-1-[[(6-Methyl-2-pyridinyl)Methoxy]iMino]ethyl]phenyl]Methyl]carbaMate |
Molecular Structure: | |
Formula: | C18H20ClN3O3 |
Molecular Weight: | 361.828 |
Synonyms: | methyl [[2-chloro-5-[(1E)-1-[[(6-methyl-2-pyridinyl)methoxy]imino]ethyl]phenyl]methyl]carbamate;methyl {2-chloro-5-[(1E)-1-(6-methyl-2-pyridylmethoxyimino)ethyl]benzyl}carbamate; |
Density: | 1.221 g/cm3 |
PSA: | 76.30000 |
LogP: | 4.04460 |
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The Pyribencarb is an organic compound with the formula C18H20ClN3O3. The IUPAC name of this chemical is methyl N-[[2-chloro-5-[(Z)-C-methyl-N-[(6-methylpyridin-2-yl)methoxy]carbonimidoyl]phenyl]methyl]carbamate. With the CAS registry number 799247-52-2, it is also named as Methyl (2-chloro-5-{(1E)-N-[(6-methyl-2-pyridinyl)methoxy]ethanimidoyl}benzyl)carbamate.
Physical properties about Pyribencarb are: (1)ACD/LogP: 3.09; (2)#H bond acceptors: 6; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 72.81 Å2; (6)Index of Refraction: 1.57; (7)Molar Refractivity: 97.242 cm3; (8)Molar Volume: 296.398 cm3; (9)Polarizability: 38.55×10-24cm3; (10)Surface Tension: 40.849 dyne/cm; (11)Density: 1.221 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1CNC(=O)OC)\C(=N\OCc2nc(ccc2)C)C
(2)InChI: InChI=1/C18H20ClN3O3/c1-12-5-4-6-16(21-12)11-25-22-13(2)14-7-8-17(19)15(9-14)10-20-18(23)24-3/h4-9H,10-11H2,1-3H3,(H,20,23)/b22-13+
(3)InChIKey: CRFYLQMIDWBKRT-LPYMAVHIBT
(4)Std. InChI: InChI=1S/C18H20ClN3O3/c1-12-5-4-6-16(21-12)11-25-22-13(2)14-7-8-17(19)15(9-14)10-20-18(23)24-3/h4-9H,10-11H2,1-3H3,(H,20,23)/b22-13+
(5)Std. InChIKey: CRFYLQMIDWBKRT-LPYMAVHISA-N