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CAS No.: | 95897-49-7 |
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Name: | 7-Bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H6BrNO2 |
Molecular Weight: | 216.034 |
Synonyms: | 7-Brom-pyridodioxen; 7-bromo-2H,3H-[1,4]dioxino[2,3-b]pyridine |
Density: | 1.691 g/cm3 |
Boiling Point: | 272.472 °C at 760 mmHg |
Flash Point: | 118.587 °C |
PSA: | 31.35000 |
LogP: | 1.61530 |
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The 7-Bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has the CAS registry number 95897-49-7. This chemical's molecular formula is C7H6BrNO2 and molecular weight is 216.03. What's more, its systematic name is 7-Bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
Physical properties of 7-Bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 96; (6)ACD/BCF (pH 7.4): 96; (7)ACD/KOC (pH 5.5): 915; (8)ACD/KOC (pH 7.4): 915; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 31.35 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 42.807 cm3; (15)Molar Volume: 127.758 cm3; (16)Polarizability: 16.97×10-24 cm3; (17)Surface Tension: 54.621 dyne/cm; (18)Density: 1.691 g/cm3; (19)Flash Point: 118.587 °C; (20)Enthalpy of Vaporization: 49.02 kJ/mol; (21)Boiling Point: 272.472 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc2OCCOc2c1
(2)InChI: InChI=1S/C7H6BrNO2/c8-5-3-6-7(9-4-5)11-2-1-10-6/h3-4H,1-2H2
(3)InChIKey: PMNCDNRJLYPTDB-UHFFFAOYSA-N