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| CAS No.: | 874792-20-8 |
|---|---|
| Name: | 6-Bromo-4-methoxyquinoline |
| Molecular Structure: | |
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| Formula: | C10H8BrNO |
| Molecular Weight: | 238.08062 |
| Synonyms: | 6-Bromo-4-methoxyquinoline; |
| Density: | 1.517 g/cm3 |
| Boiling Point: | 303.168 °C at 760 mmHg |
| Flash Point: | 137.152 °C |
| PSA: | 22.12000 |
| LogP: | 3.00590 |
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Specification
The CAS register number of Quinoline,6-bromo-4-methoxy- is 874792-20-8. The systematic name about this chemical is 6-bromo-4-methoxy-quinoline. The molecular formula about this chemical is C10H8BrNO and the molecular weight is 238.08062.
Physical properties about Quinoline,6-bromo-4-methoxy- are: (1)ACD/LogP: 3.18; (2)ACD/LogD (pH 5.5): 2.846; (3)ACD/LogD (pH 7.4): 3.171; (4)ACD/BCF (pH 5.5): 71.388; (5)ACD/BCF (pH 7.4): 150.774; (6)ACD/KOC (pH 5.5): 594.816; (7)ACD/KOC (pH 7.4): 1256.277; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 22.12 Å2; (11)Index of Refraction: 1.64; (12)Molar Refractivity: 56.555 cm3; (13)Molar Volume: 156.96 cm3; (14)Polarizability: 22.42x10-24cm3; (15)Surface Tension: 47.665 dyne/cm; (16)Density: 1.517 g/cm3; (17)Flash Point: 137.152 °C; (18)Enthalpy of Vaporization: 52.172 kJ/mol; (19)Boiling Point: 303.168 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccnc2c1cc(cc2)Br
(2)InChI: InChI=1/C10H8BrNO/c1-13-10-4-5-12-9-3-2-7(11)6-8(9)10/h2-6H,1H3
(3)InChIKey: AWLGLUBASOBKNM-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H8BrNO/c1-13-10-4-5-12-9-3-2-7(11)6-8(9)10/h2-6H,1H3
(5)Std. InChIKey: AWLGLUBASOBKNM-UHFFFAOYSA-N