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CAS No.: | 959121-99-4 |
---|---|
Name: | 3-BROMO-7-METHOXYQUINOLINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H8BrNO |
Molecular Weight: | 238.084 |
Synonyms: | 3-Bromo-7-methoxyquinoline; |
Density: | 1.516 g/cm3 |
Boiling Point: | 318.3 °C at 760 mmHg |
Flash Point: | 146.3 °C |
PSA: | 22.12000 |
LogP: | 3.00590 |
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The CAS register number of 3-Bromo-7-methoxyquinoline is 959121-99-4. It also can be called as Quinoline,3-bromo-7-methoxy- and the systematic name about this chemical is 3-bromo-7-methoxyquinoline. The molecular formula about this chemical is C10H8BrNO and molecular weight is 238.08.
Physical properties about 3-Bromo-7-methoxyquinoline are: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 183.31; (5)ACD/BCF (pH 7.4): 183.71; (6)ACD/KOC (pH 5.5): 1449.84; (7)ACD/KOC (pH 7.4): 1453.02; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 22.12Å2; (11)Index of Refraction: 1.64; (12)Molar Refractivity: 56.55 cm3; (13)Molar Volume: 156.9 cm3; (14)Polarizability: 22.42x10-24cm3; (15)Surface Tension: 47.6 dyne/cm; (16)Flash Point: 146.3 °C; (17)Enthalpy of Vaporization: 53.75 kJ/mol; (18)Boiling Point: 318.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000681 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc2ncc(Br)cc2cc1
(2)InChI: InChI=1/C10H8BrNO/c1-13-9-3-2-7-4-8(11)6-12-10(7)5-9/h2-6H,1H3
(3)InChIKey: BOTSUSKVHVRQAY-UHFFFAOYAB