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CAS No.: | 1171920-28-7 |
---|---|
Name: | 6-Bromofuro[3,2-b]pyridine-2-carbaldehyde |
Molecular Structure: | |
Formula: | C8H4BrNO2 |
Molecular Weight: | 226.0269 |
Synonyms: | A-6074; |
Density: | 1.774 g/cm3 |
Boiling Point: | 306.253 °C at 760 mmHg |
Flash Point: | 139.017 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26 |
PSA: | 43.10000 |
LogP: | 2.40280 |
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The CAS registry number of 6-Bromofuro[3,2-b]pyridine-2-carbaldehyde is 1171920-28-7. In addition, its molecular formula is C8H4BrNO2 and molecular weight is 226.0269. Its systematic name is called 6-Bromofuro[3,2-b]pyridine-2-carbaldehyde.
Physical properties about 6-Bromofuro[3,2-b]pyridine-2-carbaldehyde are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.863; (4)ACD/LogD (pH 7.4): 0.863; (5)ACD/BCF (pH 5.5): 2.667; (6)ACD/BCF (pH 7.4): 2.667; (7)ACD/KOC (pH 5.5): 70.229; (8)ACD/KOC (pH 7.4): 70.23; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.694; (13)Molar Refractivity: 48.929 cm3; (14)Molar Volume: 127.418 cm3; (15)Surface Tension: 60.11 dyne/cm; (16)Density: 1.774 g/cm3; (17)Flash Point: 139.017 °C; (18)Enthalpy of Vaporization: 54.676 kJ/mol; (19)Boiling Point: 306.253 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc2c1oc(c2)C=O)Br
(2)InChI: InChI=1/C8H4BrNO2/c9-5-1-8-7(10-3-5)2-6(4-11)12-8/h1-4H
(3)InChIKey: GKQNDTWNODMNSB-UHFFFAOYAK