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| CAS No.: | 69872-15-7 |
|---|---|
| Name: | 3-Bromo-4-methyl-5-nitropyridine |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C6H5BrN2O2 |
| Molecular Weight: | 217.022 |
| Synonyms: | 3-Bromo-4-methyl-5-nitropyridine |
| Density: | 1.709 g/cm3 |
| Melting Point: | 57-58 °C |
| Boiling Point: | 268.644 °C at 760 mmHg |
| Flash Point: | 116.272 °C |
| PSA: | 58.71000 |
| LogP: | 2.58390 |
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Specification
The 3-Bromo-4-methyl-5-nitropyridine has CAS registry number 69872-15-7. This chemical's molecular formula is C6H5BrN2O2 and molecular weight is 217.0201. What's more, its systematic name is 3-Bromo-4-methyl-5-nitropyridine.
Physical properties about 3-Bromo-4-methyl-5-nitropyridine are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 58.71 Å2; (7)Index of Refraction: 1.6; (8)Molar Refractivity: 43.405 cm3; (9)Molar Volume: 126.959 cm3; (10)Polarizability: 17.207×10-24 cm3; (11)Surface Tension: 54.557 dyne/cm; (12)Density: 1.709 g/cm3; (13)Flash Point: 116.272 °C; (14)Enthalpy of Vaporization: 48.632 kJ/mol; (15)Boiling Point: 268.644 °C at 760 mmHg; (16)Vapour Pressure: 0.013 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(cncc1Br)[N+]([O-])=O
(2) InChI: InChI=1/C6H5BrN2O2/c1-4-5(7)2-8-3-6(4)9(10)11/h2-3H,1H3
(3) InChIKey: WFCIQRPATFRBOY-UHFFFAOYAE