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7-Bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

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Name

7-Bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

EINECS N/A
CAS No. 95897-49-7 Density 1.691 g/cm3
PSA 31.35000 LogP 1.61530
Solubility N/A Melting Point N/A
Formula C7H6BrNO2 Boiling Point 272.472 °C at 760 mmHg
Molecular Weight 216.034 Flash Point 118.587 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 95897-49-7 (7-Bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine) Hazard Symbols N/A
Synonyms

7-Brom-pyridodioxen; 7-bromo-2H,3H-[1,4]dioxino[2,3-b]pyridine

Article Data 9

7-Bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine Specification

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

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