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CAS No.: | 79674-66-1 |
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Name: | 2-(5-Bromopyridin-2-yl)oxyacetic acid |
Molecular Structure: | |
Formula: | C7H6BrNO3 |
Molecular Weight: | 232.03 |
Synonyms: | 2-(5-bromopyridin-2-yl)oxyacetic acid |
Density: | 1.731 g/cm3 |
Boiling Point: | 328.1 °C at 760 mmHg |
Flash Point: | 152.2 °C |
PSA: | 59.42000 |
LogP: | 1.30750 |
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This chemical is called 2-(5-Bromopyridin-2-yl)oxyacetic acid, and its systematic name is [(5-bromopyridin-2-yl)oxy]acetic acid. With the molecular formula of C7H6BrNO3, its molecular weight is 232.03. The CAS registry number of this chemical is 79674-66-1.
Other characteristics of the 2-(5-Bromopyridin-2-yl)oxyacetic acid can be summarised as followings: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 48.42 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 44.91 cm3; (9)Molar Volume: 133.9 cm3; (10)Polarizability: 17.8×10-24cm3; (11)Surface Tension: 58.2 dyne/cm; (12)Density: 1.731 g/cm3; (13)Flash Point: 152.2 °C; (14)Enthalpy of Vaporization: 60.22 kJ/mol; (15)Boiling Point: 328.1 °C at 760 mmHg; (16)Vapour Pressure: 7.82E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1cnc(OCC(=O)O)cc1
2.InChI: InChI=1/C7H6BrNO3/c8-5-1-2-6(9-3-5)12-4-7(10)11/h1-3H,4H2,(H,10,11)
3.InChIKey: XJUFARLLBCMIAD-UHFFFAOYAL