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| CAS No.: | 52200-49-4 |
|---|---|
| Name: | 2-(Benzyloxy)-3-bromopyridine |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C12H10BrNO |
| Molecular Weight: | 264.121 |
| Synonyms: | 2-Benzyloxy-3-bromopyridine; |
| Density: | 1.438 |
| Boiling Point: | 325.8 °C at 760 mmHg |
| Flash Point: | 150.9 °C |
| PSA: | 22.12000 |
| LogP: | 3.42310 |
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Specification
The 2-(Benzyloxy)-3-bromopyridine , with cas registry number of 52200-49-4, belongs to the categories of Heterocyclic Compounds; Pyridines. Its systematic name is called 2-benzyloxy-3-bromo-pyridine . This chemical is often used as an pharmaceutical intermediate.
Physical properties about this chemical are: (1) ACD/LogP: 3.80 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 3.8 ; (4) ACD/LogD (pH 7.4): 3.8 ; (5) #H bond acceptors: 2 ; (6) #H bond donors: 0 ; (7) #Freely Rotating Bonds: 3 ; (8) Polar Surface Area: 22.12 Å2 ; (9) Index of Refraction: 1.604 ; (10) Molar Refractivity: 63.2 cm3 ; (11) Molar Volume: 183.5 cm3 ; (12) Surface Tension: 47 dyne/cm ; (13) Density: 1.438 g/cm3 ; (14) Flash Point: 150.9 °C ; (15) Enthalpy of Vaporization: 54.54 kJ/mol ; (16) Boiling Point: 325.8 °C at 760 mmHg ; (17) Vapour Pressure: 0.000426 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES:Brc2cccnc2OCc1ccccc1;
(2) InChI:InChI=1/C12H10BrNO/c13-11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10/h1-8H,9H2;
(3) InChIKey:RPBPHGSYVPJXKT-UHFFFAOYAJ