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Name |
2-Bromo-4-pyridine acetic acid |
EINECS | N/A |
CAS No. | 183483-29-6 | Density | 1.71 g/cm3; |
PSA | 50.19000 | LogP | 1.47120 |
Solubility | N/A | Melting Point |
145-150°C |
Formula | C7H6BrNO2 | Boiling Point | 374.1 °C at 760 mmHg |
Molecular Weight | 216.034 | Flash Point | 180 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
4-Pyridineacetic acid, 2-bromo-; |
Article Data | 2 |
The 2-Bromo-4-pyridine acetic acid, with the CAS registry number 183483-29-6, is also known as 4-Pyridineacetic acid, 2-bromo-. This chemical's molecular formula is C7H6BrNO2 and molecular weight is 216.03. What's more, its systematic name is 2-(2-Bromo-4-pyridyl)acetic acid
Physical properties about 2-Bromo-4-pyridine acetic acid are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 50.19 Å2; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 43.14 cm3; (9)Molar Volume: 126.2 cm3; (10)Polarizability: 17.1×10-24 cm3; (11)Surface Tension: 59.2 dyne/cm; (12)Density: 1.71 g/cm3; (13)Flash Point: 180 °C; (14)Enthalpy of Vaporization: 65.56 kJ/mol; (15)Boiling Point: 374.1 °C at 760 mmHg; (16)Vapour Pressure: 2.93E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(CC(O)=O)ccn1
(2) InChI: InChI=1/C7H6BrNO2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H,10,11)
(3) InChIKey: SJFRXYCVLZOAEU-UHFFFAOYAY