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CAS No.: | 107512-34-5 |
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Name: | 4-Chloro-3-methoxy-2-methylpyridine |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C7H8ClNO |
Molecular Weight: | 157.6 |
Synonyms: | Pyridine, 4-chloro-3-methoxy-2-methyl-; |
Density: | 1.168 g/cm3 |
Boiling Point: | 206.068 °C at 760 mmHg |
Flash Point: | 78.428 °C |
PSA: | 22.12000 |
LogP: | 2.05200 |
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4-Chloro-3-methoxy-2-methylpyridine is an organic compound with the formula C7H8ClNO, and its systematic name is the same with the product name. With the CAS registry number 107512-34-5, it is also named as Pyridine, 4-chloro-3-methoxy-2-methyl-. In addition, the molecular weight is 157.60.
Physical properties of 4-Chloro-3-methoxy-2-methylpyridine are: (1)ACD/LogP: 1.854; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 7.98; (6)ACD/BCF (pH 7.4): 14.92; (7)ACD/KOC (pH 5.5): 128.41; (8)ACD/KOC (pH 7.4): 240.15; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 40.743 cm3; (15)Molar Volume: 134.885 cm3; (16)Polarizability: 16.152×10-24cm3; (17)Surface Tension: 36.53 dyne/cm; (18)Density: 1.168 g/cm3; (19)Flash Point: 78.428 °C; (20)Enthalpy of Vaporization: 42.425 kJ/mol; (21)Boiling Point: 206.068 °C at 760 mmHg; (22)Vapour Pressure: 0.35 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccnc(c1OC)C
(2)Std. InChI: InChI=1S/C7H8ClNO/c1-5-7(10-2)6(8)3-4-9-5/h3-4H,1-2H3
(3)Std. InChIKey: RYGXNMUVOHCPBF-UHFFFAOYSA-N