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CAS No.: | 622369-46-4 |
---|---|
Name: | 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-fluoro-6-methoxy-3-quinolinecarbonitrile |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C18H12Cl2FN3O2 |
Molecular Weight: | 392.217 |
Synonyms: | 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-fluoro-6-methoxyquinoline-3-carbonitrile; |
Density: | 1.483 g/cm3 |
Melting Point: | 219-221℃ |
Boiling Point: | 512.2 °C at 760 mmHg |
Flash Point: | 263.569 °C |
PSA: | 70.40000 |
LogP: | 4.73508 |
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The 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-fluoro-6-methoxy-3-quinolinecarbonitrile, with the CAS registry number 622369-46-4, is also known as 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-fluoro-6-methoxyquinoline-3-carbonitrile. This chemical's molecular formula is C18H12Cl2FN3O2 and molecular weight is 392.21. What's more, its systematic name is 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-fluoro-6-methoxy-3-quinolinecarbonitrile.
Physical properties of 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-fluoro-6-methoxy-3-quinolinecarbonitrile are: (1)ACD/LogP: 5.474; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.47; (4)ACD/LogD (pH 7.4): 5.47; (5)ACD/BCF (pH 5.5): 8508.05; (6)ACD/BCF (pH 7.4): 8513.55; (7)ACD/KOC (pH 5.5): 22619.41; (8)ACD/KOC (pH 7.4): 22634.04; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 67.17 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 97.531 cm3; (15)Molar Volume: 264.506 cm3; (16)Polarizability: 38.664×10-24cm3; (17)Surface Tension: 65.6 dyne/cm; (18)Density: 1.483 g/cm3; (19)Flash Point: 263.569 °C; (20)Enthalpy of Vaporization: 78.335 kJ/mol; (21)Boiling Point: 512.2 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(OC)cc(c(Cl)c1)Nc2c3cc(OC)c(F)cc3ncc2C#N
(2)Std. InChI: InChI=1S/C18H12Cl2FN3O2/c1-25-16-6-15(11(19)4-12(16)20)24-18-9(7-22)8-23-14-5-13(21)17(26-2)3-10(14)18/h3-6,8H,1-2H3,(H,23,24)
(3)Std. InChIKey: AXSYHFQBQMKSGH-UHFFFAOYSA-N