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CAS No.: | 884494-37-5 |
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Name: | 2-BROMO-3-FLUORO-4-PICOLINE |
Molecular Structure: | |
Formula: | C6H5BrFN |
Molecular Weight: | 190.015 |
Synonyms: | 2-bromo-3-fluoro-4-methylpyridine |
Density: | 1.592 g/cm3 |
Boiling Point: | 203.9 °C at 760 mmHg |
Flash Point: | 77.1 °C |
PSA: | 12.89000 |
LogP: | 2.29160 |
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This chemical is called Pyridine, 2-bromo-3-fluoro-4-methyl-, and its systematic name is 2-Bromo-3-fluoro-4-methyl-pyridine. With the molecular formula of C6H5BrFN, its molecular weight is 190.01. The CAS registry number of this chemical is 884494-37-5.
Other characteristics of the Pyridine, 2-bromo-3-fluoro-4-methyl- can be summarised as followings: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95 ; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.529; (10)Molar Refractivity: 36.85 cm3; (11)Molar Volume: 119.3 cm3; (12)Polarizability: 14.6×10-24cm3; (13)Surface Tension: 38.2 dyne/cm; (14)Density: 1.592 g/cm3; (15)Flash Point: 77.1 °C; (16)Enthalpy of Vaporization: 42.22 kJ/mol; (17)Boiling Point: 203.9 °C at 760 mmHg; (18)Vapour Pressure: 0.386 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccnc(Br)c1F
2.InChI: InChI=1/C6H5BrFN/c1-4-2-3-9-6(7)5(4)8/h2-3H,1H3
3.InChIKey: XEYHVDSBHMACII-UHFFFAOYAZ