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CAS No.: | 313657-71-5 |
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Name: | 2-(2-Bromopyridin-3-yloxy)ethanol |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H8BrNO2 |
Molecular Weight: | 218.049 |
Synonyms: | 2-[(2-Brompyridin-3-yl)oxy]ethanol; ethanol, 2-[(2-bromo-3-pyridinyl)oxy]- |
Density: | 1.593 g/cm3 |
Boiling Point: | 329.733 °C at 760 mmHg |
Flash Point: | 153.217 °C |
PSA: | 42.35000 |
LogP: | 1.21520 |
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This chemical is called 2-(2-Bromopyridin-3-yloxy)ethanol, and it's also named as ethanol, 2-[(2-bromo-3-pyridinyl)oxy]-. With the molecular formula of C7H8BrNO2, its molecular weight is 218.049. The CAS registry number of this chemical is 313657-71-5.
Other characteristics of the 2-(2-Bromopyridin-3-yloxy)ethanol can be summarised as followings: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 58; (8)ACD/KOC (pH 7.4): 58; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.35 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 44.881 cm3; (15)Molar Volume: 136.857 cm3; (16)Polarizability: 17.792×10-24cm3; (17)Surface Tension: 50.651 dyne/cm; (18)Density: 1.593 g/cm3; (19)Flash Point: 153.217 °C; (20)Enthalpy of Vaporization: 60.405 kJ/mol; (21)Boiling Point: 329.733 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ncccc1OCCO
2.InChI: InChI=1/C7H8BrNO2/c8-7-6(11-5-4-10)2-1-3-9-7/h1-3,10H,4-5H2
3.InChIKey: DRJPSPBRRPBIIU-UHFFFAOYAL