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CAS No.: | 848366-28-9 |
---|---|
Name: | 2-Methoxy-3-chloro-5-bromopyridine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H5BrClNO |
Molecular Weight: | 222.469 |
Synonyms: | 5-Bromo-3-chloro-2-methoxypyridine; |
EINECS: | 200-258-5 |
Density: | 1.65 g/cm3 |
Melting Point: | 56-58℃ |
Boiling Point: | 219.3 °C at 760 mmHg |
Flash Point: | 86.5 °C |
Solubility: | Slightly soluble in water. |
PSA: | 22.12000 |
LogP: | 2.50610 |
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The 2-Methoxy-3-chloro-5-bromopyridine is an organic compound with the formula C6H5BrClNO. The systematic name of this chemical is 5-bromo-3-chloro-2-methoxy-pyridine. With the CAS registry number 848366-28-9, it is also named as pyridine, 5-bromo-3-chloro-2-methoxy-. In addition, the molecular weight is 222.47.
The other characteristics of 2-Methoxy-3-chloro-5-bromopyridine can be summarized as: (1) ACD/LogP: 3.35; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.35; (4) ACD/LogD (pH 7.4): 3.35; (5) #H bond acceptors: 2; (6) #H bond donors: 0; (7) #Freely Rotating Bonds: 1; (8) Polar Surface Area: 22.12 Å2; (9) Index of Refraction: 1.56; (10) Molar Refractivity: 43.6 cm3; (11) Molar Volume: 134.7 cm3; (12) Surface Tension: 42.6 dyne/cm; (13) Density: 1.65 g/cm3; (14) Flash Point: 86.5 °C; (15) Enthalpy of Vaporization: 43.72 kJ/mol; (16) Boiling Point: 219.3 °C at 760 mmHg; (17) Vapour Pressure: 0.177 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
1. SMILES:COc1c(cc(cn1)Br)Cl
2. InChI:InChI=1/C6H5BrClNO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
3. InChIKey:XCHXNAQRMMXBGN-UHFFFAOYAP
4. Std. InChI:InChI=1S/C6H5BrClNO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
5. Std. InChIKey:XCHXNAQRMMXBGN-UHFFFAOYSA-N